USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 893 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 48 TYR OH : rot -159:sc= 0.414 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 148:sc= -2.84! (180deg=-4.22!) USER MOD Set 2.1: A 24 HIS : no HE2:sc= 0.275 K(o=1.7,f=-4.1!) USER MOD Set 2.2: A 94 TYR OH : rot -30:sc= 1.38 USER MOD Set 3.1: A 83 TYR OH : rot -159:sc= 1.11 USER MOD Set 3.2: A 87 TYR OH : rot 60:sc= 0.271 USER MOD Set 4.1: A 39 TYR OH : rot 180:sc= 0.111 USER MOD Set 4.2: A 44 ASN : amide:sc= 0.179 X(o=0.29,f=-0.17) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.0134 (180deg=-0.0296) USER MOD Single : A 4 MET CE :methyl 160:sc= -0.137 (180deg=-0.64) USER MOD Single : A 5 SER OG : rot -42:sc= 0.63 USER MOD Single : A 7 LYS NZ :NH3+ 149:sc= -1.23! (180deg=-5.53!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.69) USER MOD Single : A 17 ASN : amide:sc= -0.833 K(o=-0.83,f=0) USER MOD Single : A 25 ASN : amide:sc= -2.79! C(o=-2.8!,f=-4.8!) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= -0.0177 (180deg=-0.122) USER MOD Single : A 31 ASN : amide:sc= -2.84! K(o=-2.8!,f=-0.16) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.2) USER MOD Single : A 40 SER OG : rot 180:sc=-0.000674 USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= -0.109 (180deg=-0.321) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.71! C(o=-1.7!,f=-7!) USER MOD Single : A 68 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.7) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -41:sc= 0.69 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -104:sc= 1.24 (180deg=-0.58) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.593 K(o=-0.59,f=-3.3!) USER MOD Single : A 102 LYS NZ :NH3+ 153:sc= -0.667! (180deg=-2.67!) USER MOD Single : A 105 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.42) USER MOD Single : A 106 HIS : no HD1:sc= 0.0461 K(o=0.046,f=-1.8) USER MOD Single : A 107 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.837 K(o=-0.84,f=-1.6) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 110 HIS : no HD1:sc= -0.0994 X(o=-0.099,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.864 -18.202 -16.619 1.00 0.00 N ATOM 2 CA MET A 1 19.907 -18.867 -15.294 1.00 52.33 C ATOM 3 C MET A 1 19.491 -17.900 -14.176 1.00 71.35 C ATOM 4 O MET A 1 18.516 -18.153 -13.466 1.00 74.04 O ATOM 5 CB MET A 1 21.309 -19.455 -15.022 1.00 60.40 C ATOM 6 CG MET A 1 22.448 -18.447 -15.107 1.00 12.51 C ATOM 7 SD MET A 1 24.057 -19.173 -14.732 1.00 53.05 S ATOM 8 CE MET A 1 25.121 -17.740 -14.896 1.00 4.13 C ATOM 0 H1 MET A 1 20.214 -18.857 -17.347 1.00 0.00 H new ATOM 0 H2 MET A 1 18.885 -17.930 -16.839 1.00 0.00 H new ATOM 0 H3 MET A 1 20.463 -17.352 -16.601 1.00 0.00 H new ATOM 0 HA MET A 1 19.191 -19.689 -15.307 1.00 52.33 H new ATOM 0 HB2 MET A 1 21.313 -19.905 -14.029 1.00 60.40 H new ATOM 0 HB3 MET A 1 21.497 -20.257 -15.736 1.00 60.40 H new ATOM 0 HG2 MET A 1 22.473 -18.018 -16.109 1.00 12.51 H new ATOM 0 HG3 MET A 1 22.254 -17.628 -14.414 1.00 12.51 H new ATOM 0 HE1 MET A 1 26.153 -18.028 -14.694 1.00 4.13 H new ATOM 0 HE2 MET A 1 25.046 -17.345 -15.909 1.00 4.13 H new ATOM 0 HE3 MET A 1 24.812 -16.974 -14.185 1.00 4.13 H new ATOM 20 N ILE A 2 20.206 -16.782 -14.034 1.00 62.23 N ATOM 21 CA ILE A 2 19.931 -15.821 -12.960 1.00 72.12 C ATOM 22 C ILE A 2 18.975 -14.727 -13.436 1.00 14.01 C ATOM 23 O ILE A 2 18.474 -13.931 -12.638 1.00 23.50 O ATOM 24 CB ILE A 2 21.234 -15.167 -12.425 1.00 63.40 C ATOM 25 CG1 ILE A 2 21.951 -14.388 -13.542 1.00 62.41 C ATOM 26 CG2 ILE A 2 22.155 -16.227 -11.825 1.00 43.52 C ATOM 27 CD1 ILE A 2 23.185 -13.648 -13.076 1.00 11.51 C ATOM 0 H ILE A 2 20.978 -16.519 -14.647 1.00 62.23 H new ATOM 0 HA ILE A 2 19.465 -16.380 -12.149 1.00 72.12 H new ATOM 0 HB ILE A 2 20.967 -14.460 -11.639 1.00 63.40 H new ATOM 0 HG12 ILE A 2 22.233 -15.083 -14.333 1.00 62.41 H new ATOM 0 HG13 ILE A 2 21.254 -13.673 -13.979 1.00 62.41 H new ATOM 0 HG21 ILE A 2 23.064 -15.752 -11.455 1.00 43.52 H new ATOM 0 HG22 ILE A 2 21.646 -16.728 -11.002 1.00 43.52 H new ATOM 0 HG23 ILE A 2 22.414 -16.959 -12.590 1.00 43.52 H new ATOM 0 HD11 ILE A 2 23.635 -13.124 -13.919 1.00 11.51 H new ATOM 0 HD12 ILE A 2 22.908 -12.928 -12.306 1.00 11.51 H new ATOM 0 HD13 ILE A 2 23.903 -14.359 -12.666 1.00 11.51 H new ATOM 39 N GLY A 3 18.736 -14.690 -14.743 1.00 45.43 N ATOM 40 CA GLY A 3 17.871 -13.683 -15.326 1.00 42.12 C ATOM 41 C GLY A 3 18.515 -13.035 -16.533 1.00 23.14 C ATOM 42 O GLY A 3 19.557 -13.497 -17.007 1.00 40.02 O ATOM 0 H GLY A 3 19.132 -15.348 -15.415 1.00 45.43 H new ATOM 0 HA2 GLY A 3 16.924 -14.138 -15.617 1.00 42.12 H new ATOM 0 HA3 GLY A 3 17.642 -12.921 -14.581 1.00 42.12 H new ATOM 46 N MET A 4 17.895 -11.975 -17.037 1.00 5.53 N ATOM 47 CA MET A 4 18.435 -11.226 -18.171 1.00 20.13 C ATOM 48 C MET A 4 18.595 -9.755 -17.796 1.00 44.14 C ATOM 49 O MET A 4 18.725 -8.891 -18.666 1.00 41.42 O ATOM 50 CB MET A 4 17.519 -11.376 -19.396 1.00 44.22 C ATOM 51 CG MET A 4 17.327 -12.822 -19.838 1.00 62.44 C ATOM 52 SD MET A 4 16.364 -12.979 -21.357 1.00 63.05 S ATOM 53 CE MET A 4 17.462 -12.192 -22.536 1.00 53.42 C ATOM 0 H MET A 4 17.013 -11.611 -16.678 1.00 5.53 H new ATOM 0 HA MET A 4 19.415 -11.629 -18.426 1.00 20.13 H new ATOM 0 HB2 MET A 4 16.546 -10.942 -19.167 1.00 44.22 H new ATOM 0 HB3 MET A 4 17.937 -10.804 -20.224 1.00 44.22 H new ATOM 0 HG2 MET A 4 18.304 -13.283 -19.985 1.00 62.44 H new ATOM 0 HG3 MET A 4 16.830 -13.376 -19.041 1.00 62.44 H new ATOM 0 HE1 MET A 4 17.200 -12.509 -23.545 1.00 53.42 H new ATOM 0 HE2 MET A 4 17.363 -11.109 -22.458 1.00 53.42 H new ATOM 0 HE3 MET A 4 18.492 -12.479 -22.322 1.00 53.42 H new ATOM 63 N SER A 5 18.575 -9.489 -16.487 1.00 2.11 N ATOM 64 CA SER A 5 18.783 -8.146 -15.944 1.00 1.52 C ATOM 65 C SER A 5 17.645 -7.202 -16.341 1.00 1.41 C ATOM 66 O SER A 5 17.779 -5.977 -16.253 1.00 2.22 O ATOM 67 CB SER A 5 20.144 -7.586 -16.400 1.00 74.51 C ATOM 68 OG SER A 5 20.454 -6.364 -15.748 1.00 15.33 O ATOM 0 H SER A 5 18.414 -10.200 -15.774 1.00 2.11 H new ATOM 0 HA SER A 5 18.785 -8.219 -14.856 1.00 1.52 H new ATOM 0 HB2 SER A 5 20.926 -8.317 -16.194 1.00 74.51 H new ATOM 0 HB3 SER A 5 20.130 -7.430 -17.479 1.00 74.51 H new ATOM 0 HG SER A 5 19.653 -5.801 -15.710 1.00 15.33 H new ATOM 74 N GLU A 6 16.516 -7.772 -16.752 1.00 14.31 N ATOM 75 CA GLU A 6 15.363 -6.977 -17.152 1.00 22.43 C ATOM 76 C GLU A 6 14.574 -6.520 -15.930 1.00 24.03 C ATOM 77 O GLU A 6 13.693 -7.228 -15.440 1.00 11.44 O ATOM 78 CB GLU A 6 14.454 -7.767 -18.103 1.00 12.02 C ATOM 79 CG GLU A 6 15.134 -8.184 -19.401 1.00 12.34 C ATOM 80 CD GLU A 6 14.186 -8.891 -20.352 1.00 35.13 C ATOM 81 OE1 GLU A 6 13.512 -8.202 -21.149 1.00 23.42 O ATOM 82 OE2 GLU A 6 14.115 -10.137 -20.315 1.00 42.10 O ATOM 0 H GLU A 6 16.377 -8.780 -16.816 1.00 14.31 H new ATOM 0 HA GLU A 6 15.731 -6.097 -17.680 1.00 22.43 H new ATOM 0 HB2 GLU A 6 14.095 -8.659 -17.590 1.00 12.02 H new ATOM 0 HB3 GLU A 6 13.579 -7.162 -18.341 1.00 12.02 H new ATOM 0 HG2 GLU A 6 15.545 -7.302 -19.892 1.00 12.34 H new ATOM 0 HG3 GLU A 6 15.973 -8.842 -19.173 1.00 12.34 H new ATOM 89 N LYS A 7 14.926 -5.346 -15.420 1.00 62.42 N ATOM 90 CA LYS A 7 14.198 -4.730 -14.319 1.00 13.22 C ATOM 91 C LYS A 7 13.421 -3.535 -14.862 1.00 51.02 C ATOM 92 O LYS A 7 13.656 -2.388 -14.481 1.00 24.04 O ATOM 93 CB LYS A 7 15.168 -4.304 -13.203 1.00 3.44 C ATOM 94 CG LYS A 7 14.501 -4.129 -11.842 1.00 53.55 C ATOM 95 CD LYS A 7 13.855 -5.433 -11.379 1.00 61.45 C ATOM 96 CE LYS A 7 13.338 -5.351 -9.950 1.00 54.22 C ATOM 97 NZ LYS A 7 12.801 -6.659 -9.493 1.00 31.34 N ATOM 0 H LYS A 7 15.718 -4.798 -15.755 1.00 62.42 H new ATOM 0 HA LYS A 7 13.501 -5.446 -13.885 1.00 13.22 H new ATOM 0 HB2 LYS A 7 15.958 -5.050 -13.117 1.00 3.44 H new ATOM 0 HB3 LYS A 7 15.645 -3.366 -13.487 1.00 3.44 H new ATOM 0 HG2 LYS A 7 15.240 -3.805 -11.109 1.00 53.55 H new ATOM 0 HG3 LYS A 7 13.746 -3.345 -11.901 1.00 53.55 H new ATOM 0 HD2 LYS A 7 13.031 -5.684 -12.047 1.00 61.45 H new ATOM 0 HD3 LYS A 7 14.582 -6.242 -11.453 1.00 61.45 H new ATOM 0 HE2 LYS A 7 14.144 -5.035 -9.287 1.00 54.22 H new ATOM 0 HE3 LYS A 7 12.557 -4.593 -9.887 1.00 54.22 H new ATOM 0 HZ1 LYS A 7 12.945 -6.754 -8.467 1.00 31.34 H new ATOM 0 HZ2 LYS A 7 11.784 -6.711 -9.706 1.00 31.34 H new ATOM 0 HZ3 LYS A 7 13.297 -7.429 -9.985 1.00 31.34 H new ATOM 111 N ARG A 8 12.501 -3.826 -15.776 1.00 64.41 N ATOM 112 CA ARG A 8 11.794 -2.791 -16.518 1.00 72.21 C ATOM 113 C ARG A 8 10.604 -2.270 -15.716 1.00 25.43 C ATOM 114 O ARG A 8 9.572 -2.938 -15.602 1.00 45.15 O ATOM 115 CB ARG A 8 11.335 -3.340 -17.876 1.00 71.15 C ATOM 116 CG ARG A 8 12.443 -4.061 -18.643 1.00 32.44 C ATOM 117 CD ARG A 8 11.990 -4.501 -20.028 1.00 21.12 C ATOM 118 NE ARG A 8 12.963 -5.397 -20.667 1.00 2.24 N ATOM 119 CZ ARG A 8 13.865 -5.012 -21.574 1.00 64.31 C ATOM 120 NH1 ARG A 8 13.960 -3.739 -21.933 1.00 5.24 N ATOM 121 NH2 ARG A 8 14.679 -5.911 -22.114 1.00 51.10 N ATOM 0 H ARG A 8 12.227 -4.777 -16.021 1.00 64.41 H new ATOM 0 HA ARG A 8 12.474 -1.957 -16.690 1.00 72.21 H new ATOM 0 HB2 ARG A 8 10.504 -4.028 -17.720 1.00 71.15 H new ATOM 0 HB3 ARG A 8 10.958 -2.518 -18.484 1.00 71.15 H new ATOM 0 HG2 ARG A 8 13.306 -3.402 -18.737 1.00 32.44 H new ATOM 0 HG3 ARG A 8 12.768 -4.933 -18.075 1.00 32.44 H new ATOM 0 HD2 ARG A 8 11.028 -5.007 -19.951 1.00 21.12 H new ATOM 0 HD3 ARG A 8 11.839 -3.623 -20.656 1.00 21.12 H new ATOM 0 HE ARG A 8 12.949 -6.381 -20.400 1.00 2.24 H new ATOM 0 HH11 ARG A 8 13.341 -3.044 -21.516 1.00 5.24 H new ATOM 0 HH12 ARG A 8 14.652 -3.455 -22.626 1.00 5.24 H new ATOM 0 HH21 ARG A 8 14.614 -6.890 -21.836 1.00 51.10 H new ATOM 0 HH22 ARG A 8 15.370 -5.623 -22.807 1.00 51.10 H new ATOM 135 N GLY A 9 10.774 -1.089 -15.144 1.00 40.25 N ATOM 136 CA GLY A 9 9.728 -0.463 -14.359 1.00 54.21 C ATOM 137 C GLY A 9 10.105 0.956 -14.005 1.00 13.02 C ATOM 138 O GLY A 9 10.503 1.726 -14.884 1.00 74.25 O ATOM 0 H GLY A 9 11.633 -0.543 -15.211 1.00 40.25 H new ATOM 0 HA2 GLY A 9 8.793 -0.467 -14.920 1.00 54.21 H new ATOM 0 HA3 GLY A 9 9.556 -1.037 -13.449 1.00 54.21 H new ATOM 142 N GLU A 10 10.003 1.307 -12.730 1.00 52.02 N ATOM 143 CA GLU A 10 10.438 2.621 -12.265 1.00 51.34 C ATOM 144 C GLU A 10 10.611 2.612 -10.750 1.00 32.24 C ATOM 145 O GLU A 10 11.721 2.778 -10.241 1.00 12.21 O ATOM 146 CB GLU A 10 9.434 3.707 -12.685 1.00 23.12 C ATOM 147 CG GLU A 10 9.905 5.132 -12.403 1.00 20.13 C ATOM 148 CD GLU A 10 11.191 5.489 -13.139 1.00 40.42 C ATOM 149 OE1 GLU A 10 11.120 5.856 -14.330 1.00 61.14 O ATOM 150 OE2 GLU A 10 12.281 5.407 -12.533 1.00 61.35 O ATOM 0 H GLU A 10 9.624 0.704 -12.000 1.00 52.02 H new ATOM 0 HA GLU A 10 11.399 2.850 -12.726 1.00 51.34 H new ATOM 0 HB2 GLU A 10 9.231 3.607 -13.751 1.00 23.12 H new ATOM 0 HB3 GLU A 10 8.492 3.537 -12.164 1.00 23.12 H new ATOM 0 HG2 GLU A 10 9.121 5.832 -12.692 1.00 20.13 H new ATOM 0 HG3 GLU A 10 10.061 5.252 -11.331 1.00 20.13 H new ATOM 157 N ILE A 11 9.511 2.397 -10.031 1.00 22.32 N ATOM 158 CA ILE A 11 9.535 2.397 -8.570 1.00 21.15 C ATOM 159 C ILE A 11 9.108 1.033 -8.026 1.00 61.23 C ATOM 160 O ILE A 11 7.917 0.756 -7.864 1.00 35.52 O ATOM 161 CB ILE A 11 8.619 3.503 -7.976 1.00 62.14 C ATOM 162 CG1 ILE A 11 9.011 4.887 -8.525 1.00 72.02 C ATOM 163 CG2 ILE A 11 8.685 3.491 -6.445 1.00 61.04 C ATOM 164 CD1 ILE A 11 8.095 6.004 -8.072 1.00 64.40 C ATOM 0 H ILE A 11 8.592 2.221 -10.437 1.00 22.32 H new ATOM 0 HA ILE A 11 10.561 2.606 -8.266 1.00 21.15 H new ATOM 0 HB ILE A 11 7.592 3.295 -8.277 1.00 62.14 H new ATOM 0 HG12 ILE A 11 10.030 5.116 -8.214 1.00 72.02 H new ATOM 0 HG13 ILE A 11 9.012 4.849 -9.614 1.00 72.02 H new ATOM 0 HG21 ILE A 11 8.037 4.272 -6.047 1.00 61.04 H new ATOM 0 HG22 ILE A 11 8.354 2.521 -6.074 1.00 61.04 H new ATOM 0 HG23 ILE A 11 9.711 3.671 -6.124 1.00 61.04 H new ATOM 0 HD11 ILE A 11 8.434 6.948 -8.499 1.00 64.40 H new ATOM 0 HD12 ILE A 11 7.078 5.799 -8.407 1.00 64.40 H new ATOM 0 HD13 ILE A 11 8.112 6.070 -6.984 1.00 64.40 H new ATOM 176 N MET A 12 10.093 0.182 -7.771 1.00 44.33 N ATOM 177 CA MET A 12 9.864 -1.153 -7.224 1.00 60.22 C ATOM 178 C MET A 12 10.292 -1.202 -5.756 1.00 15.32 C ATOM 179 O MET A 12 11.428 -0.868 -5.418 1.00 74.43 O ATOM 180 CB MET A 12 10.623 -2.209 -8.047 1.00 12.35 C ATOM 181 CG MET A 12 12.078 -1.846 -8.327 1.00 50.31 C ATOM 182 SD MET A 12 12.226 -0.400 -9.398 1.00 41.32 S ATOM 183 CE MET A 12 13.989 -0.094 -9.347 1.00 30.12 C ATOM 0 H MET A 12 11.076 0.396 -7.937 1.00 44.33 H new ATOM 0 HA MET A 12 8.799 -1.377 -7.282 1.00 60.22 H new ATOM 0 HB2 MET A 12 10.592 -3.160 -7.516 1.00 12.35 H new ATOM 0 HB3 MET A 12 10.107 -2.356 -8.996 1.00 12.35 H new ATOM 0 HG2 MET A 12 12.590 -1.652 -7.385 1.00 50.31 H new ATOM 0 HG3 MET A 12 12.579 -2.694 -8.793 1.00 50.31 H new ATOM 0 HE1 MET A 12 14.226 0.772 -9.965 1.00 30.12 H new ATOM 0 HE2 MET A 12 14.295 0.099 -8.319 1.00 30.12 H new ATOM 0 HE3 MET A 12 14.521 -0.967 -9.726 1.00 30.12 H new ATOM 193 N ILE A 13 9.371 -1.608 -4.889 1.00 41.34 N ATOM 194 CA ILE A 13 9.616 -1.654 -3.453 1.00 73.43 C ATOM 195 C ILE A 13 9.821 -3.098 -2.991 1.00 22.22 C ATOM 196 O ILE A 13 8.859 -3.849 -2.832 1.00 33.23 O ATOM 197 CB ILE A 13 8.435 -1.025 -2.667 1.00 65.42 C ATOM 198 CG1 ILE A 13 8.077 0.357 -3.246 1.00 3.30 C ATOM 199 CG2 ILE A 13 8.769 -0.918 -1.177 1.00 62.53 C ATOM 200 CD1 ILE A 13 9.214 1.357 -3.221 1.00 1.43 C ATOM 0 H ILE A 13 8.437 -1.913 -5.161 1.00 41.34 H new ATOM 0 HA ILE A 13 10.519 -1.078 -3.252 1.00 73.43 H new ATOM 0 HB ILE A 13 7.568 -1.677 -2.773 1.00 65.42 H new ATOM 0 HG12 ILE A 13 7.742 0.231 -4.276 1.00 3.30 H new ATOM 0 HG13 ILE A 13 7.236 0.766 -2.685 1.00 3.30 H new ATOM 0 HG21 ILE A 13 7.927 -0.474 -0.646 1.00 62.53 H new ATOM 0 HG22 ILE A 13 8.967 -1.912 -0.776 1.00 62.53 H new ATOM 0 HG23 ILE A 13 9.651 -0.291 -1.046 1.00 62.53 H new ATOM 0 HD11 ILE A 13 8.877 2.302 -3.646 1.00 1.43 H new ATOM 0 HD12 ILE A 13 9.536 1.517 -2.192 1.00 1.43 H new ATOM 0 HD13 ILE A 13 10.049 0.973 -3.807 1.00 1.43 H new ATOM 212 N LEU A 14 11.080 -3.488 -2.805 1.00 4.13 N ATOM 213 CA LEU A 14 11.407 -4.828 -2.322 1.00 22.13 C ATOM 214 C LEU A 14 11.486 -4.824 -0.798 1.00 34.10 C ATOM 215 O LEU A 14 12.406 -4.240 -0.219 1.00 30.21 O ATOM 216 CB LEU A 14 12.740 -5.317 -2.915 1.00 62.54 C ATOM 217 CG LEU A 14 12.733 -5.654 -4.418 1.00 42.21 C ATOM 218 CD1 LEU A 14 12.477 -4.415 -5.270 1.00 23.20 C ATOM 219 CD2 LEU A 14 14.044 -6.319 -4.823 1.00 22.31 C ATOM 0 H LEU A 14 11.891 -2.895 -2.981 1.00 4.13 H new ATOM 0 HA LEU A 14 10.620 -5.510 -2.643 1.00 22.13 H new ATOM 0 HB2 LEU A 14 13.495 -4.550 -2.739 1.00 62.54 H new ATOM 0 HB3 LEU A 14 13.054 -6.205 -2.366 1.00 62.54 H new ATOM 0 HG LEU A 14 11.915 -6.352 -4.596 1.00 42.21 H new ATOM 0 HD11 LEU A 14 12.479 -4.692 -6.324 1.00 23.20 H new ATOM 0 HD12 LEU A 14 11.509 -3.988 -5.009 1.00 23.20 H new ATOM 0 HD13 LEU A 14 13.260 -3.679 -5.086 1.00 23.20 H new ATOM 0 HD21 LEU A 14 14.021 -6.550 -5.888 1.00 22.31 H new ATOM 0 HD22 LEU A 14 14.874 -5.643 -4.616 1.00 22.31 H new ATOM 0 HD23 LEU A 14 14.176 -7.240 -4.255 1.00 22.31 H new ATOM 231 N ILE A 15 10.530 -5.477 -0.149 1.00 20.35 N ATOM 232 CA ILE A 15 10.483 -5.515 1.308 1.00 71.34 C ATOM 233 C ILE A 15 10.245 -6.940 1.821 1.00 64.20 C ATOM 234 O ILE A 15 9.200 -7.538 1.567 1.00 14.55 O ATOM 235 CB ILE A 15 9.399 -4.548 1.866 1.00 72.31 C ATOM 236 CG1 ILE A 15 9.343 -4.620 3.405 1.00 60.41 C ATOM 237 CG2 ILE A 15 8.026 -4.839 1.253 1.00 70.21 C ATOM 238 CD1 ILE A 15 8.362 -3.646 4.028 1.00 34.23 C ATOM 0 H ILE A 15 9.776 -5.988 -0.609 1.00 20.35 H new ATOM 0 HA ILE A 15 11.455 -5.181 1.671 1.00 71.34 H new ATOM 0 HB ILE A 15 9.678 -3.533 1.583 1.00 72.31 H new ATOM 0 HG12 ILE A 15 9.073 -5.633 3.702 1.00 60.41 H new ATOM 0 HG13 ILE A 15 10.338 -4.425 3.805 1.00 60.41 H new ATOM 0 HG21 ILE A 15 7.290 -4.147 1.663 1.00 70.21 H new ATOM 0 HG22 ILE A 15 8.077 -4.716 0.171 1.00 70.21 H new ATOM 0 HG23 ILE A 15 7.732 -5.862 1.488 1.00 70.21 H new ATOM 0 HD11 ILE A 15 8.379 -3.756 5.112 1.00 34.23 H new ATOM 0 HD12 ILE A 15 8.643 -2.627 3.762 1.00 34.23 H new ATOM 0 HD13 ILE A 15 7.358 -3.854 3.658 1.00 34.23 H new ATOM 250 N GLN A 16 11.254 -7.482 2.506 1.00 34.34 N ATOM 251 CA GLN A 16 11.161 -8.793 3.157 1.00 25.23 C ATOM 252 C GLN A 16 10.713 -9.873 2.170 1.00 61.54 C ATOM 253 O GLN A 16 9.695 -10.542 2.377 1.00 35.14 O ATOM 254 CB GLN A 16 10.213 -8.728 4.369 1.00 12.33 C ATOM 255 CG GLN A 16 10.607 -7.675 5.402 1.00 22.14 C ATOM 256 CD GLN A 16 12.019 -7.863 5.938 1.00 15.33 C ATOM 257 OE1 GLN A 16 12.528 -8.982 6.024 1.00 71.42 O ATOM 258 NE2 GLN A 16 12.660 -6.765 6.310 1.00 72.44 N ATOM 0 H GLN A 16 12.158 -7.026 2.626 1.00 34.34 H new ATOM 0 HA GLN A 16 12.155 -9.064 3.512 1.00 25.23 H new ATOM 0 HB2 GLN A 16 9.203 -8.519 4.018 1.00 12.33 H new ATOM 0 HB3 GLN A 16 10.187 -9.705 4.851 1.00 12.33 H new ATOM 0 HG2 GLN A 16 10.524 -6.685 4.953 1.00 22.14 H new ATOM 0 HG3 GLN A 16 9.902 -7.708 6.233 1.00 22.14 H new ATOM 0 HE21 GLN A 16 12.206 -5.856 6.224 1.00 72.44 H new ATOM 0 HE22 GLN A 16 13.607 -6.829 6.682 1.00 72.44 H new ATOM 267 N ASN A 17 11.479 -10.016 1.087 1.00 11.11 N ATOM 268 CA ASN A 17 11.235 -11.037 0.057 1.00 51.00 C ATOM 269 C ASN A 17 9.934 -10.789 -0.711 1.00 34.21 C ATOM 270 O ASN A 17 9.564 -11.572 -1.587 1.00 25.00 O ATOM 271 CB ASN A 17 11.225 -12.453 0.669 1.00 0.14 C ATOM 272 CG ASN A 17 12.547 -12.839 1.323 1.00 61.03 C ATOM 273 OD1 ASN A 17 12.571 -13.594 2.298 1.00 3.41 O ATOM 274 ND2 ASN A 17 13.657 -12.338 0.796 1.00 25.32 N ATOM 0 H ASN A 17 12.289 -9.427 0.896 1.00 11.11 H new ATOM 0 HA ASN A 17 12.059 -10.963 -0.653 1.00 51.00 H new ATOM 0 HB2 ASN A 17 10.429 -12.514 1.411 1.00 0.14 H new ATOM 0 HB3 ASN A 17 10.989 -13.176 -0.111 1.00 0.14 H new ATOM 0 HD21 ASN A 17 14.564 -12.575 1.198 1.00 25.32 H new ATOM 0 HD22 ASN A 17 13.603 -11.716 -0.011 1.00 25.32 H new ATOM 281 N ALA A 18 9.246 -9.699 -0.397 1.00 73.41 N ATOM 282 CA ALA A 18 8.016 -9.340 -1.093 1.00 41.43 C ATOM 283 C ALA A 18 8.259 -8.126 -1.984 1.00 3.23 C ATOM 284 O ALA A 18 8.455 -7.015 -1.490 1.00 63.25 O ATOM 285 CB ALA A 18 6.901 -9.070 -0.091 1.00 52.33 C ATOM 0 H ALA A 18 9.519 -9.046 0.337 1.00 73.41 H new ATOM 0 HA ALA A 18 7.706 -10.173 -1.724 1.00 41.43 H new ATOM 0 HB1 ALA A 18 5.989 -8.803 -0.625 1.00 52.33 H new ATOM 0 HB2 ALA A 18 6.724 -9.965 0.506 1.00 52.33 H new ATOM 0 HB3 ALA A 18 7.192 -8.249 0.564 1.00 52.33 H new ATOM 291 N GLU A 19 8.277 -8.349 -3.294 1.00 72.52 N ATOM 292 CA GLU A 19 8.515 -7.273 -4.248 1.00 24.24 C ATOM 293 C GLU A 19 7.191 -6.654 -4.693 1.00 43.04 C ATOM 294 O GLU A 19 6.322 -7.340 -5.241 1.00 41.31 O ATOM 295 CB GLU A 19 9.295 -7.795 -5.462 1.00 53.32 C ATOM 296 CG GLU A 19 9.808 -6.692 -6.382 1.00 71.25 C ATOM 297 CD GLU A 19 10.674 -7.218 -7.517 1.00 2.14 C ATOM 298 OE1 GLU A 19 11.806 -7.676 -7.250 1.00 4.31 O ATOM 299 OE2 GLU A 19 10.248 -7.136 -8.690 1.00 24.12 O ATOM 0 H GLU A 19 8.130 -9.265 -3.719 1.00 72.52 H new ATOM 0 HA GLU A 19 9.112 -6.503 -3.759 1.00 24.24 H new ATOM 0 HB2 GLU A 19 10.141 -8.387 -5.112 1.00 53.32 H new ATOM 0 HB3 GLU A 19 8.653 -8.464 -6.035 1.00 53.32 H new ATOM 0 HG2 GLU A 19 8.959 -6.152 -6.801 1.00 71.25 H new ATOM 0 HG3 GLU A 19 10.383 -5.976 -5.795 1.00 71.25 H new ATOM 306 N PHE A 20 7.039 -5.365 -4.423 1.00 73.14 N ATOM 307 CA PHE A 20 5.885 -4.588 -4.869 1.00 63.40 C ATOM 308 C PHE A 20 6.362 -3.476 -5.802 1.00 62.11 C ATOM 309 O PHE A 20 7.566 -3.274 -5.955 1.00 2.35 O ATOM 310 CB PHE A 20 5.153 -3.955 -3.672 1.00 31.32 C ATOM 311 CG PHE A 20 4.620 -4.941 -2.658 1.00 31.13 C ATOM 312 CD1 PHE A 20 5.409 -5.362 -1.595 1.00 64.42 C ATOM 313 CD2 PHE A 20 3.327 -5.435 -2.764 1.00 2.42 C ATOM 314 CE1 PHE A 20 4.917 -6.257 -0.662 1.00 63.33 C ATOM 315 CE2 PHE A 20 2.832 -6.329 -1.832 1.00 15.32 C ATOM 316 CZ PHE A 20 3.628 -6.741 -0.780 1.00 33.11 C ATOM 0 H PHE A 20 7.716 -4.823 -3.885 1.00 73.14 H new ATOM 0 HA PHE A 20 5.197 -5.255 -5.388 1.00 63.40 H new ATOM 0 HB2 PHE A 20 5.836 -3.271 -3.168 1.00 31.32 H new ATOM 0 HB3 PHE A 20 4.322 -3.357 -4.047 1.00 31.32 H new ATOM 0 HD1 PHE A 20 6.417 -4.987 -1.496 1.00 64.42 H new ATOM 0 HD2 PHE A 20 2.700 -5.117 -3.584 1.00 2.42 H new ATOM 0 HE1 PHE A 20 5.541 -6.578 0.159 1.00 63.33 H new ATOM 0 HE2 PHE A 20 1.824 -6.705 -1.926 1.00 15.32 H new ATOM 0 HZ PHE A 20 3.243 -7.440 -0.052 1.00 33.11 H new ATOM 326 N GLU A 21 5.433 -2.767 -6.434 1.00 42.20 N ATOM 327 CA GLU A 21 5.776 -1.540 -7.147 1.00 63.12 C ATOM 328 C GLU A 21 4.687 -0.495 -6.931 1.00 23.34 C ATOM 329 O GLU A 21 3.518 -0.835 -6.712 1.00 24.23 O ATOM 330 CB GLU A 21 6.002 -1.788 -8.651 1.00 32.52 C ATOM 331 CG GLU A 21 4.728 -1.881 -9.488 1.00 71.43 C ATOM 332 CD GLU A 21 5.009 -1.870 -10.986 1.00 73.14 C ATOM 333 OE1 GLU A 21 5.812 -1.020 -11.438 1.00 34.20 O ATOM 334 OE2 GLU A 21 4.422 -2.691 -11.723 1.00 34.32 O ATOM 0 H GLU A 21 4.445 -3.017 -6.468 1.00 42.20 H new ATOM 0 HA GLU A 21 6.717 -1.169 -6.741 1.00 63.12 H new ATOM 0 HB2 GLU A 21 6.621 -0.984 -9.048 1.00 32.52 H new ATOM 0 HB3 GLU A 21 6.566 -2.713 -8.771 1.00 32.52 H new ATOM 0 HG2 GLU A 21 4.193 -2.795 -9.229 1.00 71.43 H new ATOM 0 HG3 GLU A 21 4.072 -1.047 -9.239 1.00 71.43 H new ATOM 341 N LEU A 22 5.082 0.770 -6.968 1.00 64.23 N ATOM 342 CA LEU A 22 4.156 1.876 -6.766 1.00 55.51 C ATOM 343 C LEU A 22 3.341 2.102 -8.039 1.00 30.22 C ATOM 344 O LEU A 22 3.825 2.701 -8.999 1.00 52.40 O ATOM 345 CB LEU A 22 4.943 3.141 -6.385 1.00 34.24 C ATOM 346 CG LEU A 22 4.100 4.385 -6.060 1.00 12.51 C ATOM 347 CD1 LEU A 22 3.186 4.119 -4.867 1.00 33.32 C ATOM 348 CD2 LEU A 22 5.007 5.587 -5.792 1.00 14.01 C ATOM 0 H LEU A 22 6.046 1.057 -7.138 1.00 64.23 H new ATOM 0 HA LEU A 22 3.468 1.639 -5.955 1.00 55.51 H new ATOM 0 HB2 LEU A 22 5.565 2.911 -5.520 1.00 34.24 H new ATOM 0 HB3 LEU A 22 5.617 3.387 -7.206 1.00 34.24 H new ATOM 0 HG LEU A 22 3.473 4.613 -6.922 1.00 12.51 H new ATOM 0 HD11 LEU A 22 2.598 5.011 -4.653 1.00 33.32 H new ATOM 0 HD12 LEU A 22 2.517 3.290 -5.099 1.00 33.32 H new ATOM 0 HD13 LEU A 22 3.790 3.865 -3.996 1.00 33.32 H new ATOM 0 HD21 LEU A 22 4.396 6.460 -5.563 1.00 14.01 H new ATOM 0 HD22 LEU A 22 5.659 5.369 -4.946 1.00 14.01 H new ATOM 0 HD23 LEU A 22 5.613 5.790 -6.675 1.00 14.01 H new ATOM 360 N VAL A 23 2.111 1.597 -8.050 1.00 73.12 N ATOM 361 CA VAL A 23 1.253 1.698 -9.228 1.00 41.23 C ATOM 362 C VAL A 23 0.410 2.968 -9.184 1.00 32.00 C ATOM 363 O VAL A 23 -0.132 3.404 -10.203 1.00 43.51 O ATOM 364 CB VAL A 23 0.323 0.466 -9.373 1.00 20.35 C ATOM 365 CG1 VAL A 23 1.146 -0.807 -9.578 1.00 64.33 C ATOM 366 CG2 VAL A 23 -0.600 0.333 -8.161 1.00 22.01 C ATOM 0 H VAL A 23 1.686 1.114 -7.258 1.00 73.12 H new ATOM 0 HA VAL A 23 1.913 1.734 -10.094 1.00 41.23 H new ATOM 0 HB VAL A 23 -0.303 0.612 -10.254 1.00 20.35 H new ATOM 0 HG11 VAL A 23 0.476 -1.661 -9.678 1.00 64.33 H new ATOM 0 HG12 VAL A 23 1.747 -0.710 -10.482 1.00 64.33 H new ATOM 0 HG13 VAL A 23 1.802 -0.958 -8.721 1.00 64.33 H new ATOM 0 HG21 VAL A 23 -1.242 -0.539 -8.287 1.00 22.01 H new ATOM 0 HG22 VAL A 23 -0.001 0.215 -7.258 1.00 22.01 H new ATOM 0 HG23 VAL A 23 -1.216 1.228 -8.073 1.00 22.01 H new ATOM 376 N HIS A 24 0.307 3.566 -8.001 1.00 30.31 N ATOM 377 CA HIS A 24 -0.500 4.768 -7.825 1.00 60.34 C ATOM 378 C HIS A 24 -0.022 5.558 -6.613 1.00 14.13 C ATOM 379 O HIS A 24 0.190 4.992 -5.542 1.00 62.12 O ATOM 380 CB HIS A 24 -1.979 4.386 -7.672 1.00 63.13 C ATOM 381 CG HIS A 24 -2.908 5.559 -7.603 1.00 13.14 C ATOM 382 ND1 HIS A 24 -2.829 6.634 -8.457 1.00 62.21 N ATOM 383 CD2 HIS A 24 -3.932 5.826 -6.761 1.00 3.52 C ATOM 384 CE1 HIS A 24 -3.762 7.512 -8.140 1.00 33.30 C ATOM 385 NE2 HIS A 24 -4.448 7.047 -7.115 1.00 61.13 N ATOM 0 H HIS A 24 0.770 3.239 -7.153 1.00 30.31 H new ATOM 0 HA HIS A 24 -0.390 5.399 -8.707 1.00 60.34 H new ATOM 0 HB2 HIS A 24 -2.269 3.755 -8.512 1.00 63.13 H new ATOM 0 HB3 HIS A 24 -2.097 3.788 -6.768 1.00 63.13 H new ATOM 0 HD1 HIS A 24 -2.155 6.737 -9.216 1.00 62.21 H new ATOM 0 HD2 HIS A 24 -4.280 5.194 -5.957 1.00 3.52 H new ATOM 0 HE1 HIS A 24 -3.935 8.455 -8.638 1.00 33.30 H new ATOM 394 N ASN A 25 0.130 6.864 -6.786 1.00 22.31 N ATOM 395 CA ASN A 25 0.625 7.740 -5.728 1.00 24.05 C ATOM 396 C ASN A 25 -0.147 9.056 -5.759 1.00 21.32 C ATOM 397 O ASN A 25 -0.392 9.608 -6.830 1.00 71.00 O ATOM 398 CB ASN A 25 2.132 7.970 -5.919 1.00 1.34 C ATOM 399 CG ASN A 25 2.784 8.768 -4.799 1.00 71.03 C ATOM 400 OD1 ASN A 25 2.287 8.821 -3.671 1.00 74.05 O ATOM 401 ND2 ASN A 25 3.932 9.357 -5.100 1.00 42.13 N ATOM 0 H ASN A 25 -0.085 7.346 -7.659 1.00 22.31 H new ATOM 0 HA ASN A 25 0.472 7.278 -4.753 1.00 24.05 H new ATOM 0 HB2 ASN A 25 2.629 7.003 -5.999 1.00 1.34 H new ATOM 0 HB3 ASN A 25 2.293 8.491 -6.863 1.00 1.34 H new ATOM 0 HD21 ASN A 25 4.440 9.879 -4.386 1.00 42.13 H new ATOM 0 HD22 ASN A 25 4.308 9.288 -6.046 1.00 42.13 H new ATOM 408 N PHE A 26 -0.557 9.538 -4.592 1.00 0.03 N ATOM 409 CA PHE A 26 -1.423 10.713 -4.502 1.00 54.30 C ATOM 410 C PHE A 26 -0.780 11.784 -3.621 1.00 34.43 C ATOM 411 O PHE A 26 -0.556 11.556 -2.428 1.00 53.42 O ATOM 412 CB PHE A 26 -2.788 10.293 -3.938 1.00 14.12 C ATOM 413 CG PHE A 26 -3.846 11.373 -3.975 1.00 72.12 C ATOM 414 CD1 PHE A 26 -4.467 11.710 -5.170 1.00 23.24 C ATOM 415 CD2 PHE A 26 -4.228 12.038 -2.817 1.00 41.44 C ATOM 416 CE1 PHE A 26 -5.444 12.689 -5.207 1.00 10.41 C ATOM 417 CE2 PHE A 26 -5.204 13.014 -2.850 1.00 11.12 C ATOM 418 CZ PHE A 26 -5.813 13.341 -4.046 1.00 61.24 C ATOM 0 H PHE A 26 -0.304 9.133 -3.690 1.00 0.03 H new ATOM 0 HA PHE A 26 -1.563 11.137 -5.496 1.00 54.30 H new ATOM 0 HB2 PHE A 26 -3.148 9.431 -4.499 1.00 14.12 H new ATOM 0 HB3 PHE A 26 -2.655 9.968 -2.906 1.00 14.12 H new ATOM 0 HD1 PHE A 26 -4.184 11.203 -6.081 1.00 23.24 H new ATOM 0 HD2 PHE A 26 -3.755 11.788 -1.879 1.00 41.44 H new ATOM 0 HE1 PHE A 26 -5.918 12.944 -6.143 1.00 10.41 H new ATOM 0 HE2 PHE A 26 -5.491 13.522 -1.941 1.00 11.12 H new ATOM 0 HZ PHE A 26 -6.576 14.105 -4.074 1.00 61.24 H new ATOM 428 N LYS A 27 -0.468 12.938 -4.224 1.00 52.34 N ATOM 429 CA LYS A 27 0.181 14.049 -3.514 1.00 54.22 C ATOM 430 C LYS A 27 1.509 13.590 -2.913 1.00 53.34 C ATOM 431 O LYS A 27 2.003 14.167 -1.937 1.00 31.32 O ATOM 432 CB LYS A 27 -0.752 14.624 -2.428 1.00 62.21 C ATOM 433 CG LYS A 27 -1.754 15.663 -2.939 1.00 15.21 C ATOM 434 CD LYS A 27 -2.552 15.166 -4.145 1.00 23.31 C ATOM 435 CE LYS A 27 -3.630 16.161 -4.565 1.00 12.20 C ATOM 436 NZ LYS A 27 -3.072 17.503 -4.873 1.00 21.43 N ATOM 0 H LYS A 27 -0.656 13.128 -5.208 1.00 52.34 H new ATOM 0 HA LYS A 27 0.388 14.845 -4.229 1.00 54.22 H new ATOM 0 HB2 LYS A 27 -1.302 13.803 -1.967 1.00 62.21 H new ATOM 0 HB3 LYS A 27 -0.143 15.078 -1.647 1.00 62.21 H new ATOM 0 HG2 LYS A 27 -2.442 15.925 -2.135 1.00 15.21 H new ATOM 0 HG3 LYS A 27 -1.221 16.574 -3.211 1.00 15.21 H new ATOM 0 HD2 LYS A 27 -1.875 14.991 -4.981 1.00 23.31 H new ATOM 0 HD3 LYS A 27 -3.015 14.209 -3.904 1.00 23.31 H new ATOM 0 HE2 LYS A 27 -4.153 15.778 -5.441 1.00 12.20 H new ATOM 0 HE3 LYS A 27 -4.368 16.251 -3.768 1.00 12.20 H new ATOM 0 HZ1 LYS A 27 -3.812 18.098 -5.297 1.00 21.43 H new ATOM 0 HZ2 LYS A 27 -2.731 17.947 -3.996 1.00 21.43 H new ATOM 0 HZ3 LYS A 27 -2.281 17.405 -5.542 1.00 21.43 H new ATOM 450 N ASP A 28 2.087 12.562 -3.537 1.00 54.32 N ATOM 451 CA ASP A 28 3.305 11.919 -3.053 1.00 73.43 C ATOM 452 C ASP A 28 3.173 11.527 -1.587 1.00 1.44 C ATOM 453 O ASP A 28 4.088 11.729 -0.788 1.00 34.23 O ATOM 454 CB ASP A 28 4.544 12.803 -3.283 1.00 23.22 C ATOM 455 CG ASP A 28 5.104 12.669 -4.691 1.00 74.53 C ATOM 456 OD1 ASP A 28 5.867 11.708 -4.945 1.00 53.41 O ATOM 457 OD2 ASP A 28 4.783 13.511 -5.555 1.00 44.00 O ATOM 0 H ASP A 28 1.720 12.152 -4.396 1.00 54.32 H new ATOM 0 HA ASP A 28 3.445 11.007 -3.633 1.00 73.43 H new ATOM 0 HB2 ASP A 28 4.282 13.845 -3.098 1.00 23.22 H new ATOM 0 HB3 ASP A 28 5.316 12.535 -2.562 1.00 23.22 H new ATOM 462 N GLY A 29 2.028 10.943 -1.248 1.00 63.10 N ATOM 463 CA GLY A 29 1.808 10.441 0.098 1.00 65.31 C ATOM 464 C GLY A 29 2.694 9.249 0.407 1.00 4.23 C ATOM 465 O GLY A 29 2.818 8.831 1.560 1.00 72.23 O ATOM 0 H GLY A 29 1.243 10.807 -1.885 1.00 63.10 H new ATOM 0 HA2 GLY A 29 2.003 11.235 0.818 1.00 65.31 H new ATOM 0 HA3 GLY A 29 0.762 10.156 0.213 1.00 65.31 H new ATOM 469 N PHE A 30 3.315 8.702 -0.637 1.00 54.41 N ATOM 470 CA PHE A 30 4.214 7.566 -0.500 1.00 11.13 C ATOM 471 C PHE A 30 5.421 7.919 0.369 1.00 60.32 C ATOM 472 O PHE A 30 6.358 8.574 -0.087 1.00 61.11 O ATOM 473 CB PHE A 30 4.681 7.081 -1.881 1.00 1.25 C ATOM 474 CG PHE A 30 5.656 5.929 -1.815 1.00 75.14 C ATOM 475 CD1 PHE A 30 5.233 4.670 -1.414 1.00 2.03 C ATOM 476 CD2 PHE A 30 6.994 6.112 -2.139 1.00 23.34 C ATOM 477 CE1 PHE A 30 6.123 3.617 -1.339 1.00 74.31 C ATOM 478 CE2 PHE A 30 7.889 5.062 -2.063 1.00 43.53 C ATOM 479 CZ PHE A 30 7.453 3.812 -1.663 1.00 23.41 C ATOM 0 H PHE A 30 3.208 9.034 -1.595 1.00 54.41 H new ATOM 0 HA PHE A 30 3.665 6.762 -0.010 1.00 11.13 H new ATOM 0 HB2 PHE A 30 3.812 6.778 -2.465 1.00 1.25 H new ATOM 0 HB3 PHE A 30 5.147 7.912 -2.411 1.00 1.25 H new ATOM 0 HD1 PHE A 30 4.196 4.512 -1.158 1.00 2.03 H new ATOM 0 HD2 PHE A 30 7.339 7.086 -2.454 1.00 23.34 H new ATOM 0 HE1 PHE A 30 5.780 2.641 -1.027 1.00 74.31 H new ATOM 0 HE2 PHE A 30 8.928 5.217 -2.316 1.00 43.53 H new ATOM 0 HZ PHE A 30 8.150 2.989 -1.604 1.00 23.41 H new ATOM 489 N ASN A 31 5.366 7.517 1.634 1.00 3.41 N ATOM 490 CA ASN A 31 6.519 7.603 2.530 1.00 25.12 C ATOM 491 C ASN A 31 7.016 6.191 2.819 1.00 13.54 C ATOM 492 O ASN A 31 6.417 5.474 3.623 1.00 63.45 O ATOM 493 CB ASN A 31 6.164 8.316 3.851 1.00 40.40 C ATOM 494 CG ASN A 31 5.905 9.813 3.699 1.00 73.12 C ATOM 495 OD1 ASN A 31 6.272 10.601 4.571 1.00 51.31 O ATOM 496 ND2 ASN A 31 5.238 10.211 2.627 1.00 55.51 N ATOM 0 H ASN A 31 4.530 7.125 2.067 1.00 3.41 H new ATOM 0 HA ASN A 31 7.297 8.191 2.043 1.00 25.12 H new ATOM 0 HB2 ASN A 31 5.278 7.846 4.279 1.00 40.40 H new ATOM 0 HB3 ASN A 31 6.978 8.169 4.561 1.00 40.40 H new ATOM 0 HD21 ASN A 31 5.013 11.198 2.504 1.00 55.51 H new ATOM 0 HD22 ASN A 31 4.949 9.530 1.924 1.00 55.51 H new ATOM 503 N GLU A 32 8.097 5.788 2.149 1.00 21.53 N ATOM 504 CA GLU A 32 8.601 4.419 2.255 1.00 3.13 C ATOM 505 C GLU A 32 8.981 4.094 3.697 1.00 22.12 C ATOM 506 O GLU A 32 8.638 3.030 4.210 1.00 4.55 O ATOM 507 CB GLU A 32 9.821 4.204 1.347 1.00 14.13 C ATOM 508 CG GLU A 32 10.250 2.740 1.259 1.00 51.12 C ATOM 509 CD GLU A 32 11.619 2.553 0.627 1.00 61.20 C ATOM 510 OE1 GLU A 32 11.789 2.905 -0.560 1.00 24.44 O ATOM 511 OE2 GLU A 32 12.534 2.055 1.318 1.00 70.13 O ATOM 0 H GLU A 32 8.639 6.389 1.528 1.00 21.53 H new ATOM 0 HA GLU A 32 7.801 3.752 1.933 1.00 3.13 H new ATOM 0 HB2 GLU A 32 9.591 4.570 0.346 1.00 14.13 H new ATOM 0 HB3 GLU A 32 10.654 4.799 1.721 1.00 14.13 H new ATOM 0 HG2 GLU A 32 10.258 2.310 2.261 1.00 51.12 H new ATOM 0 HG3 GLU A 32 9.511 2.186 0.680 1.00 51.12 H new ATOM 518 N GLU A 33 9.685 5.022 4.343 1.00 73.45 N ATOM 519 CA GLU A 33 10.137 4.832 5.722 1.00 31.51 C ATOM 520 C GLU A 33 8.958 4.528 6.650 1.00 3.11 C ATOM 521 O GLU A 33 9.072 3.710 7.567 1.00 12.02 O ATOM 522 CB GLU A 33 10.915 6.067 6.208 1.00 34.32 C ATOM 523 CG GLU A 33 10.179 7.388 6.007 1.00 23.43 C ATOM 524 CD GLU A 33 10.976 8.583 6.507 1.00 45.13 C ATOM 525 OE1 GLU A 33 11.962 8.969 5.843 1.00 51.42 O ATOM 526 OE2 GLU A 33 10.621 9.142 7.567 1.00 13.10 O ATOM 0 H GLU A 33 9.956 5.916 3.933 1.00 73.45 H new ATOM 0 HA GLU A 33 10.808 3.973 5.746 1.00 31.51 H new ATOM 0 HB2 GLU A 33 11.140 5.947 7.268 1.00 34.32 H new ATOM 0 HB3 GLU A 33 11.869 6.112 5.682 1.00 34.32 H new ATOM 0 HG2 GLU A 33 9.959 7.520 4.948 1.00 23.43 H new ATOM 0 HG3 GLU A 33 9.223 7.350 6.528 1.00 23.43 H new ATOM 533 N ALA A 34 7.824 5.165 6.385 1.00 74.33 N ATOM 534 CA ALA A 34 6.616 4.947 7.171 1.00 23.21 C ATOM 535 C ALA A 34 5.957 3.625 6.777 1.00 14.23 C ATOM 536 O ALA A 34 5.520 2.857 7.634 1.00 61.43 O ATOM 537 CB ALA A 34 5.653 6.113 6.990 1.00 24.12 C ATOM 0 H ALA A 34 7.716 5.840 5.628 1.00 74.33 H new ATOM 0 HA ALA A 34 6.886 4.889 8.225 1.00 23.21 H new ATOM 0 HB1 ALA A 34 4.755 5.938 7.582 1.00 24.12 H new ATOM 0 HB2 ALA A 34 6.132 7.035 7.320 1.00 24.12 H new ATOM 0 HB3 ALA A 34 5.382 6.202 5.938 1.00 24.12 H new ATOM 543 N PHE A 35 5.917 3.360 5.472 1.00 33.20 N ATOM 544 CA PHE A 35 5.350 2.120 4.934 1.00 13.12 C ATOM 545 C PHE A 35 6.018 0.896 5.561 1.00 13.41 C ATOM 546 O PHE A 35 5.358 0.053 6.172 1.00 62.51 O ATOM 547 CB PHE A 35 5.518 2.096 3.402 1.00 34.32 C ATOM 548 CG PHE A 35 5.335 0.733 2.775 1.00 23.41 C ATOM 549 CD1 PHE A 35 4.067 0.205 2.577 1.00 4.53 C ATOM 550 CD2 PHE A 35 6.435 -0.021 2.382 1.00 11.34 C ATOM 551 CE1 PHE A 35 3.903 -1.041 2.001 1.00 14.25 C ATOM 552 CE2 PHE A 35 6.273 -1.266 1.808 1.00 20.21 C ATOM 553 CZ PHE A 35 5.005 -1.777 1.618 1.00 34.52 C ATOM 0 H PHE A 35 6.275 3.995 4.758 1.00 33.20 H new ATOM 0 HA PHE A 35 4.289 2.086 5.181 1.00 13.12 H new ATOM 0 HB2 PHE A 35 4.799 2.786 2.959 1.00 34.32 H new ATOM 0 HB3 PHE A 35 6.512 2.467 3.152 1.00 34.32 H new ATOM 0 HD1 PHE A 35 3.199 0.774 2.876 1.00 4.53 H new ATOM 0 HD2 PHE A 35 7.430 0.373 2.528 1.00 11.34 H new ATOM 0 HE1 PHE A 35 2.910 -1.439 1.851 1.00 14.25 H new ATOM 0 HE2 PHE A 35 7.138 -1.840 1.508 1.00 20.21 H new ATOM 0 HZ PHE A 35 4.876 -2.751 1.170 1.00 34.52 H new ATOM 563 N LYS A 36 7.338 0.826 5.423 1.00 34.21 N ATOM 564 CA LYS A 36 8.120 -0.309 5.913 1.00 63.24 C ATOM 565 C LYS A 36 8.065 -0.394 7.441 1.00 71.54 C ATOM 566 O LYS A 36 8.382 -1.430 8.026 1.00 24.00 O ATOM 567 CB LYS A 36 9.568 -0.211 5.401 1.00 1.43 C ATOM 568 CG LYS A 36 10.344 0.999 5.912 1.00 71.00 C ATOM 569 CD LYS A 36 11.441 1.437 4.935 1.00 53.13 C ATOM 570 CE LYS A 36 12.391 0.301 4.568 1.00 2.21 C ATOM 571 NZ LYS A 36 13.432 0.747 3.604 1.00 70.43 N ATOM 0 H LYS A 36 7.896 1.550 4.971 1.00 34.21 H new ATOM 0 HA LYS A 36 7.685 -1.230 5.525 1.00 63.24 H new ATOM 0 HB2 LYS A 36 10.103 -1.116 5.688 1.00 1.43 H new ATOM 0 HB3 LYS A 36 9.553 -0.182 4.311 1.00 1.43 H new ATOM 0 HG2 LYS A 36 9.655 1.827 6.077 1.00 71.00 H new ATOM 0 HG3 LYS A 36 10.793 0.760 6.876 1.00 71.00 H new ATOM 0 HD2 LYS A 36 10.979 1.826 4.028 1.00 53.13 H new ATOM 0 HD3 LYS A 36 12.011 2.253 5.378 1.00 53.13 H new ATOM 0 HE2 LYS A 36 12.869 -0.080 5.470 1.00 2.21 H new ATOM 0 HE3 LYS A 36 11.824 -0.523 4.136 1.00 2.21 H new ATOM 0 HZ1 LYS A 36 13.974 -0.076 3.273 1.00 70.43 H new ATOM 0 HZ2 LYS A 36 12.977 1.211 2.792 1.00 70.43 H new ATOM 0 HZ3 LYS A 36 14.073 1.419 4.072 1.00 70.43 H new ATOM 585 N ALA A 37 7.671 0.708 8.077 1.00 0.25 N ATOM 586 CA ALA A 37 7.502 0.746 9.530 1.00 73.43 C ATOM 587 C ALA A 37 6.133 0.195 9.934 1.00 41.33 C ATOM 588 O ALA A 37 5.961 -0.310 11.044 1.00 50.11 O ATOM 589 CB ALA A 37 7.678 2.172 10.049 1.00 52.21 C ATOM 0 H ALA A 37 7.462 1.589 7.608 1.00 0.25 H new ATOM 0 HA ALA A 37 8.268 0.114 9.979 1.00 73.43 H new ATOM 0 HB1 ALA A 37 7.549 2.184 11.131 1.00 52.21 H new ATOM 0 HB2 ALA A 37 8.677 2.530 9.798 1.00 52.21 H new ATOM 0 HB3 ALA A 37 6.934 2.821 9.588 1.00 52.21 H new ATOM 595 N ARG A 38 5.160 0.288 9.028 1.00 41.11 N ATOM 596 CA ARG A 38 3.788 -0.143 9.317 1.00 1.53 C ATOM 597 C ARG A 38 3.488 -1.514 8.714 1.00 41.35 C ATOM 598 O ARG A 38 2.431 -2.091 8.971 1.00 34.32 O ATOM 599 CB ARG A 38 2.783 0.885 8.779 1.00 71.44 C ATOM 600 CG ARG A 38 2.974 2.292 9.333 1.00 14.14 C ATOM 601 CD ARG A 38 2.860 2.336 10.854 1.00 32.10 C ATOM 602 NE ARG A 38 3.015 3.703 11.361 1.00 20.52 N ATOM 603 CZ ARG A 38 2.438 4.166 12.470 1.00 53.30 C ATOM 604 NH1 ARG A 38 1.740 3.356 13.256 1.00 2.43 N ATOM 605 NH2 ARG A 38 2.591 5.440 12.804 1.00 50.32 N ATOM 0 H ARG A 38 5.294 0.658 8.087 1.00 41.11 H new ATOM 0 HA ARG A 38 3.691 -0.219 10.400 1.00 1.53 H new ATOM 0 HB2 ARG A 38 2.862 0.920 7.692 1.00 71.44 H new ATOM 0 HB3 ARG A 38 1.774 0.548 9.014 1.00 71.44 H new ATOM 0 HG2 ARG A 38 3.952 2.668 9.033 1.00 14.14 H new ATOM 0 HG3 ARG A 38 2.229 2.957 8.896 1.00 14.14 H new ATOM 0 HD2 ARG A 38 1.892 1.940 11.160 1.00 32.10 H new ATOM 0 HD3 ARG A 38 3.621 1.693 11.297 1.00 32.10 H new ATOM 0 HE ARG A 38 3.604 4.343 10.829 1.00 20.52 H new ATOM 0 HH11 ARG A 38 1.641 2.370 13.014 1.00 2.43 H new ATOM 0 HH12 ARG A 38 1.302 3.719 14.103 1.00 2.43 H new ATOM 0 HH21 ARG A 38 3.147 6.059 12.214 1.00 50.32 H new ATOM 0 HH22 ARG A 38 2.152 5.801 13.651 1.00 50.32 H new ATOM 619 N TYR A 39 4.412 -2.025 7.902 1.00 53.13 N ATOM 620 CA TYR A 39 4.226 -3.314 7.237 1.00 5.30 C ATOM 621 C TYR A 39 4.071 -4.440 8.264 1.00 72.22 C ATOM 622 O TYR A 39 4.752 -4.450 9.292 1.00 64.54 O ATOM 623 CB TYR A 39 5.403 -3.610 6.297 1.00 75.15 C ATOM 624 CG TYR A 39 5.279 -4.932 5.549 1.00 2.34 C ATOM 625 CD1 TYR A 39 4.334 -5.097 4.540 1.00 1.53 C ATOM 626 CD2 TYR A 39 6.103 -6.013 5.854 1.00 64.41 C ATOM 627 CE1 TYR A 39 4.213 -6.297 3.859 1.00 4.15 C ATOM 628 CE2 TYR A 39 5.987 -7.213 5.178 1.00 63.22 C ATOM 629 CZ TYR A 39 5.043 -7.351 4.181 1.00 51.42 C ATOM 630 OH TYR A 39 4.927 -8.553 3.514 1.00 21.45 O ATOM 0 H TYR A 39 5.298 -1.566 7.689 1.00 53.13 H new ATOM 0 HA TYR A 39 3.312 -3.261 6.646 1.00 5.30 H new ATOM 0 HB2 TYR A 39 5.489 -2.800 5.572 1.00 75.15 H new ATOM 0 HB3 TYR A 39 6.326 -3.617 6.877 1.00 75.15 H new ATOM 0 HD1 TYR A 39 3.683 -4.274 4.284 1.00 1.53 H new ATOM 0 HD2 TYR A 39 6.845 -5.912 6.632 1.00 64.41 H new ATOM 0 HE1 TYR A 39 3.473 -6.407 3.080 1.00 4.15 H new ATOM 0 HE2 TYR A 39 6.634 -8.041 5.429 1.00 63.22 H new ATOM 0 HH TYR A 39 5.588 -9.186 3.864 1.00 21.45 H new ATOM 640 N SER A 40 3.177 -5.378 7.970 1.00 21.34 N ATOM 641 CA SER A 40 2.891 -6.490 8.868 1.00 42.43 C ATOM 642 C SER A 40 2.673 -7.769 8.058 1.00 4.50 C ATOM 643 O SER A 40 2.446 -7.712 6.845 1.00 20.14 O ATOM 644 CB SER A 40 1.655 -6.174 9.726 1.00 2.31 C ATOM 645 OG SER A 40 1.444 -7.166 10.717 1.00 54.14 O ATOM 0 H SER A 40 2.633 -5.389 7.107 1.00 21.34 H new ATOM 0 HA SER A 40 3.741 -6.640 9.534 1.00 42.43 H new ATOM 0 HB2 SER A 40 1.781 -5.202 10.203 1.00 2.31 H new ATOM 0 HB3 SER A 40 0.775 -6.104 9.087 1.00 2.31 H new ATOM 0 HG SER A 40 0.652 -6.936 11.247 1.00 54.14 H new ATOM 651 N ASP A 41 2.737 -8.915 8.735 1.00 35.40 N ATOM 652 CA ASP A 41 2.634 -10.224 8.082 1.00 44.24 C ATOM 653 C ASP A 41 1.332 -10.349 7.291 1.00 52.11 C ATOM 654 O ASP A 41 1.340 -10.731 6.120 1.00 32.14 O ATOM 655 CB ASP A 41 2.710 -11.351 9.124 1.00 45.24 C ATOM 656 CG ASP A 41 4.000 -11.340 9.931 1.00 52.03 C ATOM 657 OD1 ASP A 41 4.045 -10.661 10.983 1.00 21.34 O ATOM 658 OD2 ASP A 41 4.974 -12.014 9.526 1.00 33.44 O ATOM 0 H ASP A 41 2.861 -8.965 9.746 1.00 35.40 H new ATOM 0 HA ASP A 41 3.471 -10.313 7.389 1.00 44.24 H new ATOM 0 HB2 ASP A 41 1.863 -11.264 9.805 1.00 45.24 H new ATOM 0 HB3 ASP A 41 2.615 -12.311 8.618 1.00 45.24 H new ATOM 663 N ILE A 42 0.217 -10.006 7.940 1.00 53.42 N ATOM 664 CA ILE A 42 -1.122 -10.138 7.348 1.00 11.23 C ATOM 665 C ILE A 42 -1.208 -9.483 5.967 1.00 1.01 C ATOM 666 O ILE A 42 -1.898 -9.981 5.075 1.00 71.35 O ATOM 667 CB ILE A 42 -2.207 -9.523 8.279 1.00 54.21 C ATOM 668 CG1 ILE A 42 -3.606 -9.579 7.629 1.00 14.02 C ATOM 669 CG2 ILE A 42 -1.849 -8.081 8.650 1.00 72.11 C ATOM 670 CD1 ILE A 42 -4.103 -10.980 7.324 1.00 22.30 C ATOM 0 H ILE A 42 0.213 -9.630 8.888 1.00 53.42 H new ATOM 0 HA ILE A 42 -1.306 -11.206 7.232 1.00 11.23 H new ATOM 0 HB ILE A 42 -2.236 -10.121 9.190 1.00 54.21 H new ATOM 0 HG12 ILE A 42 -4.320 -9.090 8.291 1.00 14.02 H new ATOM 0 HG13 ILE A 42 -3.586 -9.005 6.703 1.00 14.02 H new ATOM 0 HG21 ILE A 42 -2.621 -7.671 9.301 1.00 72.11 H new ATOM 0 HG22 ILE A 42 -0.891 -8.066 9.169 1.00 72.11 H new ATOM 0 HG23 ILE A 42 -1.780 -7.479 7.744 1.00 72.11 H new ATOM 0 HD11 ILE A 42 -5.092 -10.924 6.870 1.00 22.30 H new ATOM 0 HD12 ILE A 42 -3.414 -11.468 6.635 1.00 22.30 H new ATOM 0 HD13 ILE A 42 -4.160 -11.555 8.248 1.00 22.30 H new ATOM 682 N LEU A 43 -0.481 -8.391 5.790 1.00 52.21 N ATOM 683 CA LEU A 43 -0.563 -7.601 4.566 1.00 1.24 C ATOM 684 C LEU A 43 -0.064 -8.387 3.348 1.00 22.04 C ATOM 685 O LEU A 43 -0.515 -8.161 2.220 1.00 62.04 O ATOM 686 CB LEU A 43 0.244 -6.307 4.734 1.00 75.11 C ATOM 687 CG LEU A 43 -0.232 -5.377 5.863 1.00 21.21 C ATOM 688 CD1 LEU A 43 0.605 -4.103 5.901 1.00 73.24 C ATOM 689 CD2 LEU A 43 -1.714 -5.039 5.701 1.00 34.44 C ATOM 0 H LEU A 43 0.176 -8.028 6.481 1.00 52.21 H new ATOM 0 HA LEU A 43 -1.611 -7.358 4.388 1.00 1.24 H new ATOM 0 HB2 LEU A 43 1.286 -6.569 4.917 1.00 75.11 H new ATOM 0 HB3 LEU A 43 0.214 -5.755 3.794 1.00 75.11 H new ATOM 0 HG LEU A 43 -0.103 -5.902 6.810 1.00 21.21 H new ATOM 0 HD11 LEU A 43 0.252 -3.459 6.707 1.00 73.24 H new ATOM 0 HD12 LEU A 43 1.650 -4.359 6.073 1.00 73.24 H new ATOM 0 HD13 LEU A 43 0.512 -3.578 4.950 1.00 73.24 H new ATOM 0 HD21 LEU A 43 -2.028 -4.380 6.511 1.00 34.44 H new ATOM 0 HD22 LEU A 43 -1.871 -4.539 4.745 1.00 34.44 H new ATOM 0 HD23 LEU A 43 -2.302 -5.956 5.731 1.00 34.44 H new ATOM 701 N ASN A 44 0.839 -9.331 3.587 1.00 1.05 N ATOM 702 CA ASN A 44 1.526 -10.043 2.508 1.00 65.20 C ATOM 703 C ASN A 44 0.567 -10.881 1.654 1.00 41.10 C ATOM 704 O ASN A 44 0.783 -11.039 0.452 1.00 51.43 O ATOM 705 CB ASN A 44 2.629 -10.940 3.087 1.00 64.04 C ATOM 706 CG ASN A 44 3.472 -11.608 2.012 1.00 1.31 C ATOM 707 OD1 ASN A 44 3.166 -12.711 1.551 1.00 55.42 O ATOM 708 ND2 ASN A 44 4.545 -10.945 1.607 1.00 34.30 N ATOM 0 H ASN A 44 1.116 -9.625 4.524 1.00 1.05 H new ATOM 0 HA ASN A 44 1.966 -9.289 1.856 1.00 65.20 H new ATOM 0 HB2 ASN A 44 3.276 -10.343 3.730 1.00 64.04 H new ATOM 0 HB3 ASN A 44 2.175 -11.707 3.715 1.00 64.04 H new ATOM 0 HD21 ASN A 44 5.151 -11.344 0.890 1.00 34.30 H new ATOM 0 HD22 ASN A 44 4.765 -10.035 2.012 1.00 34.30 H new ATOM 715 N LYS A 45 -0.497 -11.408 2.264 1.00 13.23 N ATOM 716 CA LYS A 45 -1.410 -12.312 1.552 1.00 43.25 C ATOM 717 C LYS A 45 -2.383 -11.550 0.650 1.00 53.32 C ATOM 718 O LYS A 45 -3.064 -12.154 -0.183 1.00 31.21 O ATOM 719 CB LYS A 45 -2.187 -13.204 2.537 1.00 71.15 C ATOM 720 CG LYS A 45 -3.063 -12.442 3.531 1.00 2.41 C ATOM 721 CD LYS A 45 -3.949 -13.386 4.346 1.00 63.33 C ATOM 722 CE LYS A 45 -3.138 -14.443 5.095 1.00 25.12 C ATOM 723 NZ LYS A 45 -2.248 -13.852 6.130 1.00 21.53 N ATOM 0 H LYS A 45 -0.748 -11.229 3.236 1.00 13.23 H new ATOM 0 HA LYS A 45 -0.793 -12.947 0.916 1.00 43.25 H new ATOM 0 HB2 LYS A 45 -2.817 -13.888 1.968 1.00 71.15 H new ATOM 0 HB3 LYS A 45 -1.475 -13.814 3.093 1.00 71.15 H new ATOM 0 HG2 LYS A 45 -2.430 -11.865 4.205 1.00 2.41 H new ATOM 0 HG3 LYS A 45 -3.689 -11.730 2.993 1.00 2.41 H new ATOM 0 HD2 LYS A 45 -4.533 -12.806 5.061 1.00 63.33 H new ATOM 0 HD3 LYS A 45 -4.658 -13.879 3.681 1.00 63.33 H new ATOM 0 HE2 LYS A 45 -3.819 -15.151 5.568 1.00 25.12 H new ATOM 0 HE3 LYS A 45 -2.536 -15.007 4.382 1.00 25.12 H new ATOM 0 HZ1 LYS A 45 -1.601 -14.582 6.490 1.00 21.53 H new ATOM 0 HZ2 LYS A 45 -1.696 -13.076 5.711 1.00 21.53 H new ATOM 0 HZ3 LYS A 45 -2.824 -13.484 6.914 1.00 21.53 H new ATOM 737 N TYR A 46 -2.452 -10.230 0.810 1.00 41.30 N ATOM 738 CA TYR A 46 -3.341 -9.408 -0.015 1.00 23.13 C ATOM 739 C TYR A 46 -2.700 -9.126 -1.373 1.00 4.32 C ATOM 740 O TYR A 46 -3.369 -9.159 -2.408 1.00 71.25 O ATOM 741 CB TYR A 46 -3.668 -8.083 0.687 1.00 71.13 C ATOM 742 CG TYR A 46 -4.444 -8.238 1.982 1.00 43.53 C ATOM 743 CD1 TYR A 46 -5.788 -8.599 1.974 1.00 23.12 C ATOM 744 CD2 TYR A 46 -3.836 -8.012 3.211 1.00 60.14 C ATOM 745 CE1 TYR A 46 -6.499 -8.728 3.153 1.00 62.13 C ATOM 746 CE2 TYR A 46 -4.540 -8.141 4.391 1.00 24.03 C ATOM 747 CZ TYR A 46 -5.870 -8.499 4.359 1.00 72.51 C ATOM 748 OH TYR A 46 -6.575 -8.629 5.539 1.00 4.32 O ATOM 0 H TYR A 46 -1.908 -9.708 1.497 1.00 41.30 H new ATOM 0 HA TYR A 46 -4.267 -9.963 -0.165 1.00 23.13 H new ATOM 0 HB2 TYR A 46 -2.737 -7.556 0.896 1.00 71.13 H new ATOM 0 HB3 TYR A 46 -4.243 -7.456 0.005 1.00 71.13 H new ATOM 0 HD1 TYR A 46 -6.284 -8.781 1.032 1.00 23.12 H new ATOM 0 HD2 TYR A 46 -2.794 -7.730 3.243 1.00 60.14 H new ATOM 0 HE1 TYR A 46 -7.542 -9.007 3.130 1.00 62.13 H new ATOM 0 HE2 TYR A 46 -4.050 -7.962 5.337 1.00 24.03 H new ATOM 0 HH TYR A 46 -5.984 -8.434 6.296 1.00 4.32 H new ATOM 758 N ASP A 47 -1.390 -8.851 -1.340 1.00 64.41 N ATOM 759 CA ASP A 47 -0.608 -8.489 -2.532 1.00 54.31 C ATOM 760 C ASP A 47 -0.959 -7.083 -3.037 1.00 22.42 C ATOM 761 O ASP A 47 -0.434 -6.624 -4.055 1.00 54.12 O ATOM 762 CB ASP A 47 -0.767 -9.527 -3.660 1.00 51.03 C ATOM 763 CG ASP A 47 -0.034 -10.833 -3.373 1.00 71.13 C ATOM 764 OD1 ASP A 47 1.066 -10.792 -2.775 1.00 50.32 O ATOM 765 OD2 ASP A 47 -0.547 -11.905 -3.757 1.00 12.41 O ATOM 0 H ASP A 47 -0.839 -8.873 -0.482 1.00 64.41 H new ATOM 0 HA ASP A 47 0.439 -8.485 -2.228 1.00 54.31 H new ATOM 0 HB2 ASP A 47 -1.827 -9.736 -3.808 1.00 51.03 H new ATOM 0 HB3 ASP A 47 -0.393 -9.103 -4.592 1.00 51.03 H new ATOM 770 N TYR A 48 -1.840 -6.406 -2.308 1.00 72.50 N ATOM 771 CA TYR A 48 -2.173 -5.006 -2.562 1.00 15.52 C ATOM 772 C TYR A 48 -2.134 -4.238 -1.253 1.00 20.52 C ATOM 773 O TYR A 48 -2.935 -4.501 -0.352 1.00 23.34 O ATOM 774 CB TYR A 48 -3.568 -4.873 -3.192 1.00 15.42 C ATOM 775 CG TYR A 48 -3.611 -5.168 -4.677 1.00 52.14 C ATOM 776 CD1 TYR A 48 -3.355 -4.164 -5.605 1.00 15.44 C ATOM 777 CD2 TYR A 48 -3.916 -6.439 -5.153 1.00 23.10 C ATOM 778 CE1 TYR A 48 -3.409 -4.415 -6.959 1.00 4.51 C ATOM 779 CE2 TYR A 48 -3.966 -6.696 -6.508 1.00 43.14 C ATOM 780 CZ TYR A 48 -3.714 -5.681 -7.406 1.00 62.42 C ATOM 781 OH TYR A 48 -3.774 -5.931 -8.756 1.00 3.34 O ATOM 0 H TYR A 48 -2.346 -6.813 -1.521 1.00 72.50 H new ATOM 0 HA TYR A 48 -1.443 -4.598 -3.261 1.00 15.52 H new ATOM 0 HB2 TYR A 48 -4.252 -5.549 -2.679 1.00 15.42 H new ATOM 0 HB3 TYR A 48 -3.935 -3.861 -3.024 1.00 15.42 H new ATOM 0 HD1 TYR A 48 -3.110 -3.171 -5.259 1.00 15.44 H new ATOM 0 HD2 TYR A 48 -4.117 -7.236 -4.452 1.00 23.10 H new ATOM 0 HE1 TYR A 48 -3.213 -3.622 -7.666 1.00 4.51 H new ATOM 0 HE2 TYR A 48 -4.202 -7.688 -6.863 1.00 43.14 H new ATOM 0 HH TYR A 48 -4.312 -6.734 -8.916 1.00 3.34 H new ATOM 791 N ILE A 49 -1.199 -3.300 -1.142 1.00 32.24 N ATOM 792 CA ILE A 49 -1.055 -2.512 0.074 1.00 32.13 C ATOM 793 C ILE A 49 -1.341 -1.047 -0.227 1.00 63.35 C ATOM 794 O ILE A 49 -0.606 -0.405 -0.983 1.00 24.20 O ATOM 795 CB ILE A 49 0.365 -2.641 0.683 1.00 61.23 C ATOM 796 CG1 ILE A 49 0.812 -4.114 0.721 1.00 4.42 C ATOM 797 CG2 ILE A 49 0.401 -2.036 2.089 1.00 15.41 C ATOM 798 CD1 ILE A 49 -0.132 -5.025 1.475 1.00 31.33 C ATOM 0 H ILE A 49 -0.532 -3.068 -1.878 1.00 32.24 H new ATOM 0 HA ILE A 49 -1.770 -2.896 0.801 1.00 32.13 H new ATOM 0 HB ILE A 49 1.059 -2.090 0.049 1.00 61.23 H new ATOM 0 HG12 ILE A 49 0.913 -4.479 -0.301 1.00 4.42 H new ATOM 0 HG13 ILE A 49 1.799 -4.172 1.179 1.00 4.42 H new ATOM 0 HG21 ILE A 49 1.405 -2.135 2.502 1.00 15.41 H new ATOM 0 HG22 ILE A 49 0.132 -0.981 2.038 1.00 15.41 H new ATOM 0 HG23 ILE A 49 -0.308 -2.561 2.729 1.00 15.41 H new ATOM 0 HD11 ILE A 49 0.253 -6.044 1.456 1.00 31.33 H new ATOM 0 HD12 ILE A 49 -0.215 -4.688 2.508 1.00 31.33 H new ATOM 0 HD13 ILE A 49 -1.115 -5.000 1.005 1.00 31.33 H new ATOM 810 N VAL A 50 -2.418 -0.529 0.347 1.00 15.31 N ATOM 811 CA VAL A 50 -2.803 0.861 0.161 1.00 54.12 C ATOM 812 C VAL A 50 -2.637 1.623 1.466 1.00 71.41 C ATOM 813 O VAL A 50 -3.391 1.416 2.414 1.00 71.33 O ATOM 814 CB VAL A 50 -4.268 0.978 -0.317 1.00 41.23 C ATOM 815 CG1 VAL A 50 -4.650 2.441 -0.545 1.00 74.33 C ATOM 816 CG2 VAL A 50 -4.484 0.145 -1.580 1.00 20.30 C ATOM 0 H VAL A 50 -3.046 -1.058 0.952 1.00 15.31 H new ATOM 0 HA VAL A 50 -2.155 1.289 -0.604 1.00 54.12 H new ATOM 0 HB VAL A 50 -4.920 0.585 0.463 1.00 41.23 H new ATOM 0 HG11 VAL A 50 -5.685 2.499 -0.881 1.00 74.33 H new ATOM 0 HG12 VAL A 50 -4.540 2.995 0.387 1.00 74.33 H new ATOM 0 HG13 VAL A 50 -3.998 2.873 -1.304 1.00 74.33 H new ATOM 0 HG21 VAL A 50 -5.521 0.238 -1.904 1.00 20.30 H new ATOM 0 HG22 VAL A 50 -3.823 0.503 -2.370 1.00 20.30 H new ATOM 0 HG23 VAL A 50 -4.262 -0.901 -1.368 1.00 20.30 H new ATOM 826 N GLY A 51 -1.634 2.487 1.521 1.00 4.12 N ATOM 827 CA GLY A 51 -1.408 3.277 2.712 1.00 35.20 C ATOM 828 C GLY A 51 -2.082 4.625 2.616 1.00 63.33 C ATOM 829 O GLY A 51 -1.783 5.400 1.707 1.00 23.13 O ATOM 0 H GLY A 51 -0.973 2.655 0.762 1.00 4.12 H new ATOM 0 HA2 GLY A 51 -1.786 2.741 3.583 1.00 35.20 H new ATOM 0 HA3 GLY A 51 -0.337 3.414 2.862 1.00 35.20 H new ATOM 833 N ASP A 52 -2.991 4.904 3.544 1.00 11.00 N ATOM 834 CA ASP A 52 -3.705 6.177 3.572 1.00 72.12 C ATOM 835 C ASP A 52 -3.276 6.999 4.780 1.00 3.41 C ATOM 836 O ASP A 52 -2.951 6.451 5.835 1.00 43.10 O ATOM 837 CB ASP A 52 -5.234 5.963 3.591 1.00 2.23 C ATOM 838 CG ASP A 52 -5.762 5.361 4.895 1.00 14.54 C ATOM 839 OD1 ASP A 52 -5.982 6.124 5.863 1.00 32.23 O ATOM 840 OD2 ASP A 52 -5.983 4.131 4.946 1.00 52.23 O ATOM 0 H ASP A 52 -3.252 4.261 4.292 1.00 11.00 H new ATOM 0 HA ASP A 52 -3.451 6.722 2.663 1.00 72.12 H new ATOM 0 HB2 ASP A 52 -5.727 6.920 3.419 1.00 2.23 H new ATOM 0 HB3 ASP A 52 -5.509 5.309 2.763 1.00 2.23 H new ATOM 845 N TRP A 53 -3.258 8.314 4.608 1.00 44.32 N ATOM 846 CA TRP A 53 -2.965 9.239 5.699 1.00 34.14 C ATOM 847 C TRP A 53 -4.267 9.774 6.293 1.00 42.43 C ATOM 848 O TRP A 53 -4.348 10.935 6.707 1.00 51.33 O ATOM 849 CB TRP A 53 -2.090 10.395 5.194 1.00 23.24 C ATOM 850 CG TRP A 53 -0.677 9.987 4.874 1.00 61.41 C ATOM 851 CD1 TRP A 53 -0.234 9.359 3.742 1.00 3.04 C ATOM 852 CD2 TRP A 53 0.480 10.191 5.699 1.00 21.20 C ATOM 853 NE1 TRP A 53 1.124 9.159 3.817 1.00 24.33 N ATOM 854 CE2 TRP A 53 1.584 9.658 5.007 1.00 51.45 C ATOM 855 CE3 TRP A 53 0.687 10.766 6.955 1.00 45.01 C ATOM 856 CZ2 TRP A 53 2.878 9.692 5.530 1.00 43.11 C ATOM 857 CZ3 TRP A 53 1.969 10.797 7.471 1.00 2.43 C ATOM 858 CH2 TRP A 53 3.049 10.261 6.761 1.00 13.11 C ATOM 0 H TRP A 53 -3.445 8.769 3.715 1.00 44.32 H new ATOM 0 HA TRP A 53 -2.418 8.707 6.478 1.00 34.14 H new ATOM 0 HB2 TRP A 53 -2.547 10.822 4.301 1.00 23.24 H new ATOM 0 HB3 TRP A 53 -2.070 11.181 5.949 1.00 23.24 H new ATOM 0 HD1 TRP A 53 -0.859 9.064 2.912 1.00 3.04 H new ATOM 0 HE1 TRP A 53 1.697 8.711 3.102 1.00 24.33 H new ATOM 0 HE3 TRP A 53 -0.140 11.179 7.513 1.00 45.01 H new ATOM 0 HZ2 TRP A 53 3.714 9.283 4.982 1.00 43.11 H new ATOM 0 HZ3 TRP A 53 2.140 11.243 8.440 1.00 2.43 H new ATOM 0 HH2 TRP A 53 4.038 10.298 7.194 1.00 13.11 H new ATOM 869 N GLY A 54 -5.278 8.913 6.336 1.00 60.55 N ATOM 870 CA GLY A 54 -6.566 9.293 6.878 1.00 22.32 C ATOM 871 C GLY A 54 -6.480 9.650 8.349 1.00 10.22 C ATOM 872 O GLY A 54 -5.849 8.928 9.125 1.00 22.24 O ATOM 0 H GLY A 54 -5.225 7.951 6.002 1.00 60.55 H new ATOM 0 HA2 GLY A 54 -6.957 10.144 6.321 1.00 22.32 H new ATOM 0 HA3 GLY A 54 -7.272 8.473 6.745 1.00 22.32 H new ATOM 876 N TYR A 55 -7.097 10.775 8.720 1.00 4.32 N ATOM 877 CA TYR A 55 -7.127 11.248 10.108 1.00 70.33 C ATOM 878 C TYR A 55 -5.768 11.827 10.505 1.00 44.31 C ATOM 879 O TYR A 55 -5.664 13.006 10.849 1.00 70.51 O ATOM 880 CB TYR A 55 -7.551 10.114 11.061 1.00 13.01 C ATOM 881 CG TYR A 55 -7.738 10.539 12.507 1.00 25.43 C ATOM 882 CD1 TYR A 55 -8.902 11.185 12.917 1.00 61.41 C ATOM 883 CD2 TYR A 55 -6.761 10.281 13.463 1.00 71.12 C ATOM 884 CE1 TYR A 55 -9.083 11.564 14.234 1.00 32.10 C ATOM 885 CE2 TYR A 55 -6.939 10.652 14.782 1.00 42.13 C ATOM 886 CZ TYR A 55 -8.101 11.293 15.161 1.00 41.42 C ATOM 887 OH TYR A 55 -8.282 11.659 16.478 1.00 73.23 O ATOM 0 H TYR A 55 -7.590 11.384 8.067 1.00 4.32 H new ATOM 0 HA TYR A 55 -7.868 12.043 10.188 1.00 70.33 H new ATOM 0 HB2 TYR A 55 -8.485 9.683 10.699 1.00 13.01 H new ATOM 0 HB3 TYR A 55 -6.800 9.325 11.022 1.00 13.01 H new ATOM 0 HD1 TYR A 55 -9.676 11.393 12.194 1.00 61.41 H new ATOM 0 HD2 TYR A 55 -5.849 9.783 13.170 1.00 71.12 H new ATOM 0 HE1 TYR A 55 -9.989 12.070 14.534 1.00 32.10 H new ATOM 0 HE2 TYR A 55 -6.172 10.441 15.513 1.00 42.13 H new ATOM 0 HH TYR A 55 -7.497 11.395 17.002 1.00 73.23 H new ATOM 897 N GLY A 56 -4.724 11.004 10.435 1.00 1.24 N ATOM 898 CA GLY A 56 -3.390 11.452 10.781 1.00 40.44 C ATOM 899 C GLY A 56 -2.374 10.329 10.726 1.00 63.41 C ATOM 900 O GLY A 56 -1.209 10.549 10.387 1.00 13.22 O ATOM 0 H GLY A 56 -4.782 10.029 10.142 1.00 1.24 H new ATOM 0 HA2 GLY A 56 -3.088 12.246 10.099 1.00 40.44 H new ATOM 0 HA3 GLY A 56 -3.401 11.880 11.783 1.00 40.44 H new ATOM 904 N GLN A 57 -2.814 9.122 11.059 1.00 52.33 N ATOM 905 CA GLN A 57 -1.936 7.956 11.079 1.00 21.22 C ATOM 906 C GLN A 57 -1.944 7.252 9.725 1.00 10.23 C ATOM 907 O GLN A 57 -2.996 7.090 9.106 1.00 3.11 O ATOM 908 CB GLN A 57 -2.374 6.981 12.181 1.00 5.52 C ATOM 909 CG GLN A 57 -2.329 7.575 13.587 1.00 30.00 C ATOM 910 CD GLN A 57 -2.835 6.613 14.649 1.00 20.13 C ATOM 911 OE1 GLN A 57 -3.697 5.775 14.384 1.00 21.53 O ATOM 912 NE2 GLN A 57 -2.302 6.727 15.856 1.00 34.41 N ATOM 0 H GLN A 57 -3.780 8.923 11.321 1.00 52.33 H new ATOM 0 HA GLN A 57 -0.921 8.295 11.287 1.00 21.22 H new ATOM 0 HB2 GLN A 57 -3.389 6.644 11.972 1.00 5.52 H new ATOM 0 HB3 GLN A 57 -1.733 6.100 12.149 1.00 5.52 H new ATOM 0 HG2 GLN A 57 -1.304 7.863 13.822 1.00 30.00 H new ATOM 0 HG3 GLN A 57 -2.929 8.485 13.612 1.00 30.00 H new ATOM 0 HE21 GLN A 57 -1.590 7.435 16.034 1.00 34.41 H new ATOM 0 HE22 GLN A 57 -2.604 6.107 16.607 1.00 34.41 H new ATOM 921 N LEU A 58 -0.764 6.838 9.272 1.00 3.23 N ATOM 922 CA LEU A 58 -0.633 6.114 8.014 1.00 43.43 C ATOM 923 C LEU A 58 -1.109 4.676 8.207 1.00 14.14 C ATOM 924 O LEU A 58 -0.453 3.876 8.882 1.00 65.32 O ATOM 925 CB LEU A 58 0.830 6.156 7.524 1.00 24.10 C ATOM 926 CG LEU A 58 1.082 5.730 6.056 1.00 61.44 C ATOM 927 CD1 LEU A 58 2.491 6.120 5.615 1.00 62.55 C ATOM 928 CD2 LEU A 58 0.876 4.227 5.860 1.00 41.03 C ATOM 0 H LEU A 58 0.118 6.993 9.761 1.00 3.23 H new ATOM 0 HA LEU A 58 -1.252 6.588 7.252 1.00 43.43 H new ATOM 0 HB2 LEU A 58 1.203 7.172 7.653 1.00 24.10 H new ATOM 0 HB3 LEU A 58 1.425 5.513 8.172 1.00 24.10 H new ATOM 0 HG LEU A 58 0.354 6.256 5.438 1.00 61.44 H new ATOM 0 HD11 LEU A 58 2.647 5.812 4.581 1.00 62.55 H new ATOM 0 HD12 LEU A 58 2.611 7.201 5.693 1.00 62.55 H new ATOM 0 HD13 LEU A 58 3.222 5.626 6.255 1.00 62.55 H new ATOM 0 HD21 LEU A 58 1.062 3.967 4.818 1.00 41.03 H new ATOM 0 HD22 LEU A 58 1.567 3.679 6.500 1.00 41.03 H new ATOM 0 HD23 LEU A 58 -0.148 3.963 6.123 1.00 41.03 H new ATOM 940 N ARG A 59 -2.259 4.367 7.630 1.00 61.03 N ATOM 941 CA ARG A 59 -2.847 3.038 7.716 1.00 43.02 C ATOM 942 C ARG A 59 -2.568 2.244 6.444 1.00 73.25 C ATOM 943 O ARG A 59 -2.802 2.730 5.343 1.00 32.03 O ATOM 944 CB ARG A 59 -4.359 3.168 7.936 1.00 51.44 C ATOM 945 CG ARG A 59 -5.117 1.845 7.909 1.00 74.21 C ATOM 946 CD ARG A 59 -6.611 2.059 8.124 1.00 43.44 C ATOM 947 NE ARG A 59 -6.886 2.687 9.420 1.00 61.21 N ATOM 948 CZ ARG A 59 -8.080 3.149 9.796 1.00 3.21 C ATOM 949 NH1 ARG A 59 -9.112 3.105 8.965 1.00 12.42 N ATOM 950 NH2 ARG A 59 -8.233 3.686 10.998 1.00 14.42 N ATOM 0 H ARG A 59 -2.812 5.031 7.088 1.00 61.03 H new ATOM 0 HA ARG A 59 -2.400 2.504 8.555 1.00 43.02 H new ATOM 0 HB2 ARG A 59 -4.533 3.653 8.897 1.00 51.44 H new ATOM 0 HB3 ARG A 59 -4.770 3.824 7.169 1.00 51.44 H new ATOM 0 HG2 ARG A 59 -4.952 1.348 6.953 1.00 74.21 H new ATOM 0 HG3 ARG A 59 -4.727 1.184 8.683 1.00 74.21 H new ATOM 0 HD2 ARG A 59 -7.008 2.684 7.325 1.00 43.44 H new ATOM 0 HD3 ARG A 59 -7.128 1.101 8.066 1.00 43.44 H new ATOM 0 HE ARG A 59 -6.112 2.777 10.079 1.00 61.21 H new ATOM 0 HH11 ARG A 59 -8.997 2.716 8.029 1.00 12.42 H new ATOM 0 HH12 ARG A 59 -10.021 3.461 9.261 1.00 12.42 H new ATOM 0 HH21 ARG A 59 -7.438 3.746 11.635 1.00 14.42 H new ATOM 0 HH22 ARG A 59 -9.145 4.039 11.286 1.00 14.42 H new ATOM 964 N LEU A 60 -2.055 1.026 6.598 1.00 52.43 N ATOM 965 CA LEU A 60 -1.860 0.129 5.464 1.00 31.44 C ATOM 966 C LEU A 60 -3.060 -0.804 5.332 1.00 24.02 C ATOM 967 O LEU A 60 -3.214 -1.753 6.104 1.00 23.02 O ATOM 968 CB LEU A 60 -0.562 -0.682 5.610 1.00 12.34 C ATOM 969 CG LEU A 60 0.744 0.128 5.523 1.00 43.10 C ATOM 970 CD1 LEU A 60 1.959 -0.791 5.614 1.00 54.24 C ATOM 971 CD2 LEU A 60 0.793 0.954 4.239 1.00 13.02 C ATOM 0 H LEU A 60 -1.767 0.638 7.497 1.00 52.43 H new ATOM 0 HA LEU A 60 -1.773 0.732 4.560 1.00 31.44 H new ATOM 0 HB2 LEU A 60 -0.584 -1.199 6.569 1.00 12.34 H new ATOM 0 HB3 LEU A 60 -0.545 -1.448 4.835 1.00 12.34 H new ATOM 0 HG LEU A 60 0.768 0.815 6.369 1.00 43.10 H new ATOM 0 HD11 LEU A 60 2.870 -0.197 5.550 1.00 54.24 H new ATOM 0 HD12 LEU A 60 1.940 -1.326 6.564 1.00 54.24 H new ATOM 0 HD13 LEU A 60 1.935 -1.508 4.793 1.00 54.24 H new ATOM 0 HD21 LEU A 60 1.726 1.516 4.203 1.00 13.02 H new ATOM 0 HD22 LEU A 60 0.737 0.290 3.377 1.00 13.02 H new ATOM 0 HD23 LEU A 60 -0.049 1.646 4.219 1.00 13.02 H new ATOM 983 N LYS A 61 -3.916 -0.507 4.367 1.00 51.22 N ATOM 984 CA LYS A 61 -5.123 -1.281 4.130 1.00 34.51 C ATOM 985 C LYS A 61 -4.883 -2.292 3.009 1.00 15.10 C ATOM 986 O LYS A 61 -4.494 -1.917 1.900 1.00 74.35 O ATOM 987 CB LYS A 61 -6.269 -0.339 3.750 1.00 64.33 C ATOM 988 CG LYS A 61 -7.630 -1.017 3.616 1.00 30.51 C ATOM 989 CD LYS A 61 -8.223 -1.404 4.969 1.00 2.12 C ATOM 990 CE LYS A 61 -9.647 -1.936 4.823 1.00 11.54 C ATOM 991 NZ LYS A 61 -10.289 -2.182 6.141 1.00 51.41 N ATOM 0 H LYS A 61 -3.793 0.277 3.727 1.00 51.22 H new ATOM 0 HA LYS A 61 -5.389 -1.821 5.039 1.00 34.51 H new ATOM 0 HB2 LYS A 61 -6.341 0.446 4.503 1.00 64.33 H new ATOM 0 HB3 LYS A 61 -6.025 0.147 2.805 1.00 64.33 H new ATOM 0 HG2 LYS A 61 -8.317 -0.347 3.099 1.00 30.51 H new ATOM 0 HG3 LYS A 61 -7.529 -1.909 2.998 1.00 30.51 H new ATOM 0 HD2 LYS A 61 -7.596 -2.162 5.439 1.00 2.12 H new ATOM 0 HD3 LYS A 61 -8.223 -0.537 5.629 1.00 2.12 H new ATOM 0 HE2 LYS A 61 -10.244 -1.221 4.257 1.00 11.54 H new ATOM 0 HE3 LYS A 61 -9.630 -2.863 4.249 1.00 11.54 H new ATOM 0 HZ1 LYS A 61 -11.254 -2.542 5.995 1.00 51.41 H new ATOM 0 HZ2 LYS A 61 -9.734 -2.883 6.672 1.00 51.41 H new ATOM 0 HZ3 LYS A 61 -10.329 -1.293 6.679 1.00 51.41 H new ATOM 1005 N GLY A 62 -5.094 -3.565 3.312 1.00 1.25 N ATOM 1006 CA GLY A 62 -4.926 -4.611 2.321 1.00 42.20 C ATOM 1007 C GLY A 62 -6.233 -4.951 1.634 1.00 73.10 C ATOM 1008 O GLY A 62 -7.287 -4.983 2.276 1.00 45.22 O ATOM 0 H GLY A 62 -5.381 -3.895 4.234 1.00 1.25 H new ATOM 0 HA2 GLY A 62 -4.196 -4.292 1.577 1.00 42.20 H new ATOM 0 HA3 GLY A 62 -4.524 -5.504 2.800 1.00 42.20 H new ATOM 1012 N PHE A 63 -6.169 -5.200 0.330 1.00 33.33 N ATOM 1013 CA PHE A 63 -7.360 -5.526 -0.456 1.00 13.13 C ATOM 1014 C PHE A 63 -7.134 -6.764 -1.311 1.00 24.13 C ATOM 1015 O PHE A 63 -5.996 -7.185 -1.532 1.00 14.40 O ATOM 1016 CB PHE A 63 -7.742 -4.362 -1.381 1.00 23.21 C ATOM 1017 CG PHE A 63 -8.242 -3.137 -0.665 1.00 11.21 C ATOM 1018 CD1 PHE A 63 -9.506 -3.122 -0.095 1.00 33.41 C ATOM 1019 CD2 PHE A 63 -7.456 -1.998 -0.575 1.00 71.54 C ATOM 1020 CE1 PHE A 63 -9.975 -1.998 0.550 1.00 40.11 C ATOM 1021 CE2 PHE A 63 -7.922 -0.872 0.069 1.00 73.12 C ATOM 1022 CZ PHE A 63 -9.182 -0.872 0.631 1.00 53.22 C ATOM 0 H PHE A 63 -5.303 -5.183 -0.209 1.00 33.33 H new ATOM 0 HA PHE A 63 -8.166 -5.715 0.253 1.00 13.13 H new ATOM 0 HB2 PHE A 63 -6.873 -4.089 -1.979 1.00 23.21 H new ATOM 0 HB3 PHE A 63 -8.511 -4.702 -2.074 1.00 23.21 H new ATOM 0 HD1 PHE A 63 -10.130 -4.001 -0.157 1.00 33.41 H new ATOM 0 HD2 PHE A 63 -6.469 -1.993 -1.014 1.00 71.54 H new ATOM 0 HE1 PHE A 63 -10.961 -1.999 0.991 1.00 40.11 H new ATOM 0 HE2 PHE A 63 -7.301 0.009 0.134 1.00 73.12 H new ATOM 0 HZ PHE A 63 -9.548 0.010 1.135 1.00 53.22 H new ATOM 1032 N PHE A 64 -8.232 -7.334 -1.787 1.00 41.45 N ATOM 1033 CA PHE A 64 -8.196 -8.386 -2.794 1.00 43.44 C ATOM 1034 C PHE A 64 -8.609 -7.790 -4.139 1.00 72.52 C ATOM 1035 O PHE A 64 -9.544 -6.989 -4.203 1.00 32.14 O ATOM 1036 CB PHE A 64 -9.125 -9.544 -2.403 1.00 3.52 C ATOM 1037 CG PHE A 64 -8.734 -10.231 -1.113 1.00 72.33 C ATOM 1038 CD1 PHE A 64 -7.653 -11.102 -1.076 1.00 52.11 C ATOM 1039 CD2 PHE A 64 -9.441 -10.002 0.061 1.00 34.12 C ATOM 1040 CE1 PHE A 64 -7.290 -11.731 0.101 1.00 52.43 C ATOM 1041 CE2 PHE A 64 -9.079 -10.629 1.239 1.00 22.12 C ATOM 1042 CZ PHE A 64 -8.004 -11.494 1.258 1.00 34.41 C ATOM 0 H PHE A 64 -9.173 -7.080 -1.486 1.00 41.45 H new ATOM 0 HA PHE A 64 -7.185 -8.788 -2.868 1.00 43.44 H new ATOM 0 HB2 PHE A 64 -10.143 -9.165 -2.308 1.00 3.52 H new ATOM 0 HB3 PHE A 64 -9.132 -10.279 -3.208 1.00 3.52 H new ATOM 0 HD1 PHE A 64 -7.089 -11.291 -1.977 1.00 52.11 H new ATOM 0 HD2 PHE A 64 -10.283 -9.326 0.053 1.00 34.12 H new ATOM 0 HE1 PHE A 64 -6.448 -12.407 0.115 1.00 52.43 H new ATOM 0 HE2 PHE A 64 -9.638 -10.442 2.144 1.00 22.12 H new ATOM 0 HZ PHE A 64 -7.722 -11.985 2.178 1.00 34.41 H new ATOM 1052 N ASP A 65 -7.909 -8.177 -5.199 1.00 31.24 N ATOM 1053 CA ASP A 65 -8.087 -7.569 -6.524 1.00 4.40 C ATOM 1054 C ASP A 65 -9.451 -7.930 -7.114 1.00 3.41 C ATOM 1055 O ASP A 65 -9.939 -9.051 -6.920 1.00 70.44 O ATOM 1056 CB ASP A 65 -6.959 -8.038 -7.457 1.00 74.35 C ATOM 1057 CG ASP A 65 -6.838 -7.231 -8.747 1.00 13.41 C ATOM 1058 OD1 ASP A 65 -7.494 -6.179 -8.878 1.00 14.54 O ATOM 1059 OD2 ASP A 65 -6.046 -7.639 -9.629 1.00 3.54 O ATOM 0 H ASP A 65 -7.206 -8.915 -5.171 1.00 31.24 H new ATOM 0 HA ASP A 65 -8.045 -6.485 -6.421 1.00 4.40 H new ATOM 0 HB2 ASP A 65 -6.012 -7.986 -6.919 1.00 74.35 H new ATOM 0 HB3 ASP A 65 -7.124 -9.085 -7.711 1.00 74.35 H new ATOM 1064 N ASP A 66 -10.055 -6.991 -7.844 1.00 55.32 N ATOM 1065 CA ASP A 66 -11.368 -7.207 -8.449 1.00 72.20 C ATOM 1066 C ASP A 66 -11.479 -6.425 -9.763 1.00 21.22 C ATOM 1067 O ASP A 66 -10.534 -5.744 -10.162 1.00 61.41 O ATOM 1068 CB ASP A 66 -12.505 -6.839 -7.463 1.00 42.42 C ATOM 1069 CG ASP A 66 -13.060 -5.425 -7.626 1.00 23.23 C ATOM 1070 OD1 ASP A 66 -12.467 -4.469 -7.082 1.00 34.11 O ATOM 1071 OD2 ASP A 66 -14.119 -5.273 -8.280 1.00 71.21 O ATOM 0 H ASP A 66 -9.654 -6.072 -8.030 1.00 55.32 H new ATOM 0 HA ASP A 66 -11.477 -8.267 -8.678 1.00 72.20 H new ATOM 0 HB2 ASP A 66 -13.321 -7.551 -7.588 1.00 42.42 H new ATOM 0 HB3 ASP A 66 -12.135 -6.954 -6.444 1.00 42.42 H new ATOM 1076 N GLN A 67 -12.634 -6.552 -10.431 1.00 64.24 N ATOM 1077 CA GLN A 67 -12.870 -5.980 -11.772 1.00 61.35 C ATOM 1078 C GLN A 67 -12.140 -6.776 -12.858 1.00 31.24 C ATOM 1079 O GLN A 67 -12.284 -6.488 -14.050 1.00 52.22 O ATOM 1080 CB GLN A 67 -12.454 -4.497 -11.866 1.00 63.14 C ATOM 1081 CG GLN A 67 -13.251 -3.549 -10.974 1.00 2.53 C ATOM 1082 CD GLN A 67 -12.950 -2.078 -11.242 1.00 31.41 C ATOM 1083 OE1 GLN A 67 -13.005 -1.243 -10.342 1.00 51.44 O ATOM 1084 NE2 GLN A 67 -12.647 -1.747 -12.490 1.00 72.03 N ATOM 0 H GLN A 67 -13.438 -7.057 -10.057 1.00 64.24 H new ATOM 0 HA GLN A 67 -13.946 -6.044 -11.936 1.00 61.35 H new ATOM 0 HB2 GLN A 67 -11.398 -4.414 -11.608 1.00 63.14 H new ATOM 0 HB3 GLN A 67 -12.556 -4.171 -12.901 1.00 63.14 H new ATOM 0 HG2 GLN A 67 -14.316 -3.729 -11.123 1.00 2.53 H new ATOM 0 HG3 GLN A 67 -13.033 -3.774 -9.930 1.00 2.53 H new ATOM 0 HE21 GLN A 67 -12.610 -2.465 -13.213 1.00 72.03 H new ATOM 0 HE22 GLN A 67 -12.451 -0.774 -12.726 1.00 72.03 H new ATOM 1093 N ASN A 68 -11.375 -7.783 -12.453 1.00 52.10 N ATOM 1094 CA ASN A 68 -10.540 -8.537 -13.387 1.00 0.13 C ATOM 1095 C ASN A 68 -11.372 -9.523 -14.198 1.00 55.45 C ATOM 1096 O ASN A 68 -11.625 -10.643 -13.757 1.00 54.51 O ATOM 1097 CB ASN A 68 -9.427 -9.299 -12.650 1.00 1.20 C ATOM 1098 CG ASN A 68 -8.815 -8.499 -11.521 1.00 44.31 C ATOM 1099 OD1 ASN A 68 -9.239 -8.623 -10.372 1.00 61.40 O ATOM 1100 ND2 ASN A 68 -7.837 -7.665 -11.830 1.00 31.35 N ATOM 0 H ASN A 68 -11.314 -8.098 -11.485 1.00 52.10 H new ATOM 0 HA ASN A 68 -10.086 -7.813 -14.064 1.00 0.13 H new ATOM 0 HB2 ASN A 68 -9.833 -10.229 -12.252 1.00 1.20 H new ATOM 0 HB3 ASN A 68 -8.647 -9.570 -13.361 1.00 1.20 H new ATOM 0 HD21 ASN A 68 -7.405 -7.094 -11.103 1.00 31.35 H new ATOM 0 HD22 ASN A 68 -7.515 -7.592 -12.795 1.00 31.35 H new ATOM 1107 N GLN A 69 -11.826 -9.087 -15.368 1.00 74.53 N ATOM 1108 CA GLN A 69 -12.500 -9.974 -16.313 1.00 22.40 C ATOM 1109 C GLN A 69 -11.816 -9.880 -17.673 1.00 33.10 C ATOM 1110 O GLN A 69 -11.112 -10.801 -18.093 1.00 44.34 O ATOM 1111 CB GLN A 69 -13.986 -9.615 -16.447 1.00 43.02 C ATOM 1112 CG GLN A 69 -14.769 -9.667 -15.138 1.00 75.54 C ATOM 1113 CD GLN A 69 -16.252 -9.411 -15.340 1.00 62.20 C ATOM 1114 OE1 GLN A 69 -16.813 -9.742 -16.387 1.00 35.15 O ATOM 1115 NE2 GLN A 69 -16.899 -8.811 -14.352 1.00 71.43 N ATOM 0 H GLN A 69 -11.740 -8.122 -15.687 1.00 74.53 H new ATOM 0 HA GLN A 69 -12.434 -10.995 -15.937 1.00 22.40 H new ATOM 0 HB2 GLN A 69 -14.068 -8.612 -16.866 1.00 43.02 H new ATOM 0 HB3 GLN A 69 -14.449 -10.297 -17.160 1.00 43.02 H new ATOM 0 HG2 GLN A 69 -14.632 -10.644 -14.674 1.00 75.54 H new ATOM 0 HG3 GLN A 69 -14.366 -8.926 -14.447 1.00 75.54 H new ATOM 0 HE21 GLN A 69 -16.402 -8.552 -13.500 1.00 71.43 H new ATOM 0 HE22 GLN A 69 -17.895 -8.608 -14.443 1.00 71.43 H new ATOM 1124 N LYS A 70 -12.012 -8.749 -18.342 1.00 24.30 N ATOM 1125 CA LYS A 70 -11.366 -8.465 -19.620 1.00 3.44 C ATOM 1126 C LYS A 70 -10.701 -7.095 -19.548 1.00 63.23 C ATOM 1127 O LYS A 70 -10.500 -6.423 -20.561 1.00 11.23 O ATOM 1128 CB LYS A 70 -12.395 -8.505 -20.764 1.00 63.14 C ATOM 1129 CG LYS A 70 -13.534 -7.494 -20.614 1.00 42.12 C ATOM 1130 CD LYS A 70 -14.419 -7.433 -21.856 1.00 63.02 C ATOM 1131 CE LYS A 70 -15.180 -8.735 -22.088 1.00 73.32 C ATOM 1132 NZ LYS A 70 -15.857 -8.748 -23.412 1.00 43.35 N ATOM 0 H LYS A 70 -12.624 -8.002 -18.014 1.00 24.30 H new ATOM 0 HA LYS A 70 -10.610 -9.224 -19.821 1.00 3.44 H new ATOM 0 HB2 LYS A 70 -11.881 -8.320 -21.707 1.00 63.14 H new ATOM 0 HB3 LYS A 70 -12.819 -9.508 -20.823 1.00 63.14 H new ATOM 0 HG2 LYS A 70 -14.142 -7.760 -19.750 1.00 42.12 H new ATOM 0 HG3 LYS A 70 -13.117 -6.506 -20.418 1.00 42.12 H new ATOM 0 HD2 LYS A 70 -15.129 -6.613 -21.754 1.00 63.02 H new ATOM 0 HD3 LYS A 70 -13.803 -7.214 -22.728 1.00 63.02 H new ATOM 0 HE2 LYS A 70 -14.490 -9.576 -22.024 1.00 73.32 H new ATOM 0 HE3 LYS A 70 -15.920 -8.869 -21.299 1.00 73.32 H new ATOM 0 HZ1 LYS A 70 -16.364 -9.648 -23.534 1.00 43.35 H new ATOM 0 HZ2 LYS A 70 -16.534 -7.960 -23.464 1.00 43.35 H new ATOM 0 HZ3 LYS A 70 -15.148 -8.645 -24.166 1.00 43.35 H new ATOM 1146 N ALA A 71 -10.336 -6.711 -18.329 1.00 50.01 N ATOM 1147 CA ALA A 71 -9.790 -5.391 -18.042 1.00 0.43 C ATOM 1148 C ALA A 71 -8.533 -5.097 -18.861 1.00 31.43 C ATOM 1149 O ALA A 71 -7.650 -5.945 -18.995 1.00 3.10 O ATOM 1150 CB ALA A 71 -9.492 -5.269 -16.552 1.00 43.15 C ATOM 0 H ALA A 71 -10.412 -7.311 -17.508 1.00 50.01 H new ATOM 0 HA ALA A 71 -10.539 -4.653 -18.327 1.00 0.43 H new ATOM 0 HB1 ALA A 71 -9.084 -4.280 -16.342 1.00 43.15 H new ATOM 0 HB2 ALA A 71 -10.412 -5.410 -15.984 1.00 43.15 H new ATOM 0 HB3 ALA A 71 -8.767 -6.030 -16.262 1.00 43.15 H new ATOM 1156 N THR A 72 -8.466 -3.887 -19.403 1.00 64.14 N ATOM 1157 CA THR A 72 -7.290 -3.420 -20.135 1.00 75.11 C ATOM 1158 C THR A 72 -6.392 -2.611 -19.192 1.00 63.04 C ATOM 1159 O THR A 72 -5.553 -1.815 -19.624 1.00 50.33 O ATOM 1160 CB THR A 72 -7.710 -2.554 -21.352 1.00 33.23 C ATOM 1161 OG1 THR A 72 -6.561 -2.191 -22.134 1.00 4.35 O ATOM 1162 CG2 THR A 72 -8.448 -1.291 -20.910 1.00 65.22 C ATOM 0 H THR A 72 -9.221 -3.203 -19.349 1.00 64.14 H new ATOM 0 HA THR A 72 -6.739 -4.283 -20.508 1.00 75.11 H new ATOM 0 HB THR A 72 -8.386 -3.154 -21.961 1.00 33.23 H new ATOM 0 HG1 THR A 72 -5.821 -1.953 -21.537 1.00 4.35 H new ATOM 0 HG21 THR A 72 -8.728 -0.707 -21.787 1.00 65.22 H new ATOM 0 HG22 THR A 72 -9.346 -1.569 -20.357 1.00 65.22 H new ATOM 0 HG23 THR A 72 -7.798 -0.695 -20.270 1.00 65.22 H new ATOM 1170 N PHE A 73 -6.575 -2.853 -17.899 1.00 21.12 N ATOM 1171 CA PHE A 73 -5.887 -2.116 -16.847 1.00 34.31 C ATOM 1172 C PHE A 73 -5.619 -3.041 -15.665 1.00 33.21 C ATOM 1173 O PHE A 73 -6.278 -4.076 -15.521 1.00 3.00 O ATOM 1174 CB PHE A 73 -6.743 -0.919 -16.402 1.00 1.02 C ATOM 1175 CG PHE A 73 -8.166 -1.292 -16.035 1.00 0.43 C ATOM 1176 CD1 PHE A 73 -8.474 -1.761 -14.765 1.00 33.24 C ATOM 1177 CD2 PHE A 73 -9.194 -1.173 -16.964 1.00 1.42 C ATOM 1178 CE1 PHE A 73 -9.772 -2.106 -14.430 1.00 4.43 C ATOM 1179 CE2 PHE A 73 -10.493 -1.516 -16.633 1.00 24.51 C ATOM 1180 CZ PHE A 73 -10.783 -1.983 -15.365 1.00 1.22 C ATOM 0 H PHE A 73 -7.209 -3.571 -17.549 1.00 21.12 H new ATOM 0 HA PHE A 73 -4.936 -1.744 -17.229 1.00 34.31 H new ATOM 0 HB2 PHE A 73 -6.268 -0.443 -15.544 1.00 1.02 H new ATOM 0 HB3 PHE A 73 -6.765 -0.181 -17.204 1.00 1.02 H new ATOM 0 HD1 PHE A 73 -7.690 -1.858 -14.028 1.00 33.24 H new ATOM 0 HD2 PHE A 73 -8.976 -0.808 -17.957 1.00 1.42 H new ATOM 0 HE1 PHE A 73 -9.995 -2.471 -13.438 1.00 4.43 H new ATOM 0 HE2 PHE A 73 -11.280 -1.419 -17.366 1.00 24.51 H new ATOM 0 HZ PHE A 73 -11.796 -2.251 -15.105 1.00 1.22 H new ATOM 1190 N GLU A 74 -4.653 -2.674 -14.832 1.00 51.21 N ATOM 1191 CA GLU A 74 -4.331 -3.435 -13.626 1.00 1.20 C ATOM 1192 C GLU A 74 -4.072 -2.488 -12.455 1.00 72.34 C ATOM 1193 O GLU A 74 -3.508 -2.880 -11.430 1.00 54.45 O ATOM 1194 CB GLU A 74 -3.102 -4.331 -13.861 1.00 14.20 C ATOM 1195 CG GLU A 74 -1.821 -3.574 -14.216 1.00 5.25 C ATOM 1196 CD GLU A 74 -1.817 -3.048 -15.644 1.00 0.31 C ATOM 1197 OE1 GLU A 74 -1.389 -3.794 -16.552 1.00 44.03 O ATOM 1198 OE2 GLU A 74 -2.235 -1.893 -15.866 1.00 31.12 O ATOM 0 H GLU A 74 -4.073 -1.846 -14.970 1.00 51.21 H new ATOM 0 HA GLU A 74 -5.183 -4.071 -13.385 1.00 1.20 H new ATOM 0 HB2 GLU A 74 -2.922 -4.922 -12.963 1.00 14.20 H new ATOM 0 HB3 GLU A 74 -3.328 -5.033 -14.664 1.00 14.20 H new ATOM 0 HG2 GLU A 74 -1.696 -2.739 -13.527 1.00 5.25 H new ATOM 0 HG3 GLU A 74 -0.965 -4.234 -14.075 1.00 5.25 H new ATOM 1205 N THR A 75 -4.495 -1.239 -12.618 1.00 42.34 N ATOM 1206 CA THR A 75 -4.259 -0.193 -11.628 1.00 4.32 C ATOM 1207 C THR A 75 -5.582 0.363 -11.090 1.00 53.12 C ATOM 1208 O THR A 75 -5.621 1.455 -10.510 1.00 51.52 O ATOM 1209 CB THR A 75 -3.437 0.951 -12.267 1.00 22.41 C ATOM 1210 OG1 THR A 75 -4.041 1.335 -13.510 1.00 53.10 O ATOM 1211 CG2 THR A 75 -1.990 0.527 -12.512 1.00 72.33 C ATOM 0 H THR A 75 -5.011 -0.923 -13.439 1.00 42.34 H new ATOM 0 HA THR A 75 -3.704 -0.626 -10.796 1.00 4.32 H new ATOM 0 HB THR A 75 -3.431 1.794 -11.576 1.00 22.41 H new ATOM 0 HG1 THR A 75 -3.522 2.061 -13.915 1.00 53.10 H new ATOM 0 HG21 THR A 75 -1.440 1.354 -12.962 1.00 72.33 H new ATOM 0 HG22 THR A 75 -1.525 0.255 -11.564 1.00 72.33 H new ATOM 0 HG23 THR A 75 -1.971 -0.330 -13.185 1.00 72.33 H new ATOM 1219 N LYS A 76 -6.658 -0.404 -11.259 1.00 54.13 N ATOM 1220 CA LYS A 76 -7.992 0.044 -10.870 1.00 51.35 C ATOM 1221 C LYS A 76 -8.743 -1.075 -10.146 1.00 60.23 C ATOM 1222 O LYS A 76 -8.985 -2.140 -10.714 1.00 75.21 O ATOM 1223 CB LYS A 76 -8.777 0.495 -12.113 1.00 44.14 C ATOM 1224 CG LYS A 76 -10.139 1.119 -11.808 1.00 54.40 C ATOM 1225 CD LYS A 76 -10.009 2.479 -11.120 1.00 74.23 C ATOM 1226 CE LYS A 76 -11.369 3.127 -10.881 1.00 2.31 C ATOM 1227 NZ LYS A 76 -11.248 4.473 -10.262 1.00 71.42 N ATOM 0 H LYS A 76 -6.631 -1.340 -11.664 1.00 54.13 H new ATOM 0 HA LYS A 76 -7.893 0.889 -10.188 1.00 51.35 H new ATOM 0 HB2 LYS A 76 -8.176 1.217 -12.665 1.00 44.14 H new ATOM 0 HB3 LYS A 76 -8.923 -0.365 -12.767 1.00 44.14 H new ATOM 0 HG2 LYS A 76 -10.700 1.235 -12.735 1.00 54.40 H new ATOM 0 HG3 LYS A 76 -10.712 0.445 -11.171 1.00 54.40 H new ATOM 0 HD2 LYS A 76 -9.493 2.356 -10.168 1.00 74.23 H new ATOM 0 HD3 LYS A 76 -9.395 3.139 -11.733 1.00 74.23 H new ATOM 0 HE2 LYS A 76 -11.901 3.211 -11.829 1.00 2.31 H new ATOM 0 HE3 LYS A 76 -11.967 2.484 -10.235 1.00 2.31 H new ATOM 0 HZ1 LYS A 76 -11.492 4.414 -9.253 1.00 71.42 H new ATOM 0 HZ2 LYS A 76 -10.271 4.815 -10.363 1.00 71.42 H new ATOM 0 HZ3 LYS A 76 -11.896 5.133 -10.737 1.00 71.42 H new ATOM 1241 N ILE A 77 -9.087 -0.825 -8.887 1.00 23.24 N ATOM 1242 CA ILE A 77 -9.839 -1.775 -8.069 1.00 53.11 C ATOM 1243 C ILE A 77 -11.099 -1.090 -7.532 1.00 24.45 C ATOM 1244 O ILE A 77 -11.024 0.027 -7.012 1.00 35.50 O ATOM 1245 CB ILE A 77 -8.981 -2.296 -6.886 1.00 33.40 C ATOM 1246 CG1 ILE A 77 -7.711 -2.991 -7.405 1.00 21.45 C ATOM 1247 CG2 ILE A 77 -9.785 -3.245 -6.004 1.00 1.23 C ATOM 1248 CD1 ILE A 77 -6.809 -3.512 -6.306 1.00 12.35 C ATOM 0 H ILE A 77 -8.853 0.042 -8.403 1.00 23.24 H new ATOM 0 HA ILE A 77 -10.113 -2.628 -8.689 1.00 53.11 H new ATOM 0 HB ILE A 77 -8.686 -1.439 -6.281 1.00 33.40 H new ATOM 0 HG12 ILE A 77 -8.000 -3.821 -8.050 1.00 21.45 H new ATOM 0 HG13 ILE A 77 -7.149 -2.289 -8.021 1.00 21.45 H new ATOM 0 HG21 ILE A 77 -9.160 -3.596 -5.183 1.00 1.23 H new ATOM 0 HG22 ILE A 77 -10.652 -2.721 -5.602 1.00 1.23 H new ATOM 0 HG23 ILE A 77 -10.118 -4.098 -6.596 1.00 1.23 H new ATOM 0 HD11 ILE A 77 -5.935 -3.989 -6.749 1.00 12.35 H new ATOM 0 HD12 ILE A 77 -6.490 -2.683 -5.674 1.00 12.35 H new ATOM 0 HD13 ILE A 77 -7.353 -4.239 -5.703 1.00 12.35 H new ATOM 1260 N SER A 78 -12.245 -1.756 -7.650 1.00 74.31 N ATOM 1261 CA SER A 78 -13.527 -1.146 -7.306 1.00 65.11 C ATOM 1262 C SER A 78 -13.627 -0.902 -5.801 1.00 61.21 C ATOM 1263 O SER A 78 -13.956 0.205 -5.365 1.00 75.13 O ATOM 1264 CB SER A 78 -14.686 -2.031 -7.789 1.00 53.31 C ATOM 1265 OG SER A 78 -15.930 -1.348 -7.713 1.00 53.34 O ATOM 0 H SER A 78 -12.312 -2.718 -7.981 1.00 74.31 H new ATOM 0 HA SER A 78 -13.594 -0.181 -7.809 1.00 65.11 H new ATOM 0 HB2 SER A 78 -14.503 -2.342 -8.817 1.00 53.31 H new ATOM 0 HB3 SER A 78 -14.730 -2.937 -7.185 1.00 53.31 H new ATOM 0 HG SER A 78 -16.647 -1.937 -8.029 1.00 53.34 H new ATOM 1271 N THR A 79 -13.322 -1.929 -5.007 1.00 33.03 N ATOM 1272 CA THR A 79 -13.406 -1.813 -3.553 1.00 1.11 C ATOM 1273 C THR A 79 -12.450 -0.721 -3.051 1.00 10.42 C ATOM 1274 O THR A 79 -12.699 -0.073 -2.031 1.00 30.41 O ATOM 1275 CB THR A 79 -13.106 -3.168 -2.852 1.00 32.11 C ATOM 1276 OG1 THR A 79 -13.433 -3.096 -1.458 1.00 64.12 O ATOM 1277 CG2 THR A 79 -11.644 -3.572 -3.012 1.00 32.42 C ATOM 0 H THR A 79 -13.017 -2.842 -5.343 1.00 33.03 H new ATOM 0 HA THR A 79 -14.428 -1.532 -3.298 1.00 1.11 H new ATOM 0 HB THR A 79 -13.726 -3.925 -3.332 1.00 32.11 H new ATOM 0 HG1 THR A 79 -13.240 -3.957 -1.032 1.00 64.12 H new ATOM 0 HG21 THR A 79 -11.472 -4.524 -2.509 1.00 32.42 H new ATOM 0 HG22 THR A 79 -11.408 -3.674 -4.071 1.00 32.42 H new ATOM 0 HG23 THR A 79 -11.005 -2.808 -2.570 1.00 32.42 H new ATOM 1285 N LEU A 80 -11.371 -0.499 -3.803 1.00 43.13 N ATOM 1286 CA LEU A 80 -10.402 0.548 -3.487 1.00 42.01 C ATOM 1287 C LEU A 80 -10.944 1.915 -3.902 1.00 51.13 C ATOM 1288 O LEU A 80 -10.804 2.900 -3.173 1.00 21.40 O ATOM 1289 CB LEU A 80 -9.071 0.265 -4.200 1.00 42.41 C ATOM 1290 CG LEU A 80 -8.008 1.373 -4.090 1.00 13.23 C ATOM 1291 CD1 LEU A 80 -7.705 1.689 -2.628 1.00 54.14 C ATOM 1292 CD2 LEU A 80 -6.734 0.975 -4.837 1.00 1.52 C ATOM 0 H LEU A 80 -11.146 -1.035 -4.641 1.00 43.13 H new ATOM 0 HA LEU A 80 -10.231 0.555 -2.411 1.00 42.01 H new ATOM 0 HB2 LEU A 80 -8.652 -0.657 -3.796 1.00 42.41 H new ATOM 0 HB3 LEU A 80 -9.276 0.086 -5.256 1.00 42.41 H new ATOM 0 HG LEU A 80 -8.406 2.275 -4.555 1.00 13.23 H new ATOM 0 HD11 LEU A 80 -6.951 2.475 -2.574 1.00 54.14 H new ATOM 0 HD12 LEU A 80 -8.616 2.025 -2.132 1.00 54.14 H new ATOM 0 HD13 LEU A 80 -7.331 0.793 -2.132 1.00 54.14 H new ATOM 0 HD21 LEU A 80 -5.996 1.772 -4.747 1.00 1.52 H new ATOM 0 HD22 LEU A 80 -6.332 0.057 -4.408 1.00 1.52 H new ATOM 0 HD23 LEU A 80 -6.965 0.812 -5.890 1.00 1.52 H new ATOM 1304 N ASP A 81 -11.579 1.952 -5.070 1.00 42.41 N ATOM 1305 CA ASP A 81 -12.138 3.187 -5.621 1.00 11.10 C ATOM 1306 C ASP A 81 -13.117 3.816 -4.627 1.00 32.14 C ATOM 1307 O ASP A 81 -13.146 5.038 -4.453 1.00 11.21 O ATOM 1308 CB ASP A 81 -12.834 2.888 -6.961 1.00 24.34 C ATOM 1309 CG ASP A 81 -13.386 4.127 -7.654 1.00 2.22 C ATOM 1310 OD1 ASP A 81 -12.589 5.006 -8.042 1.00 63.15 O ATOM 1311 OD2 ASP A 81 -14.616 4.210 -7.854 1.00 24.13 O ATOM 0 H ASP A 81 -11.721 1.132 -5.660 1.00 42.41 H new ATOM 0 HA ASP A 81 -11.332 3.899 -5.798 1.00 11.10 H new ATOM 0 HB2 ASP A 81 -12.125 2.396 -7.627 1.00 24.34 H new ATOM 0 HB3 ASP A 81 -13.649 2.186 -6.788 1.00 24.34 H new ATOM 1316 N GLU A 82 -13.889 2.964 -3.957 1.00 21.03 N ATOM 1317 CA GLU A 82 -14.842 3.407 -2.939 1.00 11.24 C ATOM 1318 C GLU A 82 -14.110 3.797 -1.651 1.00 63.11 C ATOM 1319 O GLU A 82 -14.448 4.790 -1.004 1.00 61.54 O ATOM 1320 CB GLU A 82 -15.859 2.293 -2.644 1.00 64.54 C ATOM 1321 CG GLU A 82 -16.563 1.749 -3.885 1.00 21.41 C ATOM 1322 CD GLU A 82 -17.531 2.737 -4.523 1.00 51.44 C ATOM 1323 OE1 GLU A 82 -17.075 3.755 -5.084 1.00 55.23 O ATOM 1324 OE2 GLU A 82 -18.752 2.473 -4.511 1.00 10.13 O ATOM 0 H GLU A 82 -13.873 1.954 -4.102 1.00 21.03 H new ATOM 0 HA GLU A 82 -15.370 4.281 -3.320 1.00 11.24 H new ATOM 0 HB2 GLU A 82 -15.348 1.473 -2.140 1.00 64.54 H new ATOM 0 HB3 GLU A 82 -16.609 2.674 -1.951 1.00 64.54 H new ATOM 0 HG2 GLU A 82 -15.812 1.463 -4.621 1.00 21.41 H new ATOM 0 HG3 GLU A 82 -17.107 0.844 -3.616 1.00 21.41 H new ATOM 1331 N TYR A 83 -13.099 3.006 -1.298 1.00 3.23 N ATOM 1332 CA TYR A 83 -12.331 3.210 -0.067 1.00 71.14 C ATOM 1333 C TYR A 83 -11.690 4.599 -0.034 1.00 51.14 C ATOM 1334 O TYR A 83 -11.691 5.271 0.998 1.00 13.24 O ATOM 1335 CB TYR A 83 -11.251 2.125 0.059 1.00 3.43 C ATOM 1336 CG TYR A 83 -10.448 2.179 1.350 1.00 2.43 C ATOM 1337 CD1 TYR A 83 -10.996 1.728 2.547 1.00 41.41 C ATOM 1338 CD2 TYR A 83 -9.139 2.662 1.372 1.00 61.01 C ATOM 1339 CE1 TYR A 83 -10.268 1.754 3.721 1.00 4.12 C ATOM 1340 CE2 TYR A 83 -8.406 2.692 2.545 1.00 42.35 C ATOM 1341 CZ TYR A 83 -8.976 2.239 3.717 1.00 54.20 C ATOM 1342 OH TYR A 83 -8.252 2.258 4.892 1.00 52.24 O ATOM 0 H TYR A 83 -12.788 2.208 -1.853 1.00 3.23 H new ATOM 0 HA TYR A 83 -13.016 3.139 0.777 1.00 71.14 H new ATOM 0 HB2 TYR A 83 -11.726 1.147 -0.017 1.00 3.43 H new ATOM 0 HB3 TYR A 83 -10.566 2.213 -0.784 1.00 3.43 H new ATOM 0 HD1 TYR A 83 -12.008 1.351 2.558 1.00 41.41 H new ATOM 0 HD2 TYR A 83 -8.690 3.019 0.457 1.00 61.01 H new ATOM 0 HE1 TYR A 83 -10.709 1.396 4.639 1.00 4.12 H new ATOM 0 HE2 TYR A 83 -7.394 3.068 2.543 1.00 42.35 H new ATOM 0 HH TYR A 83 -7.522 2.907 4.816 1.00 52.24 H new ATOM 1352 N ILE A 84 -11.149 5.025 -1.168 1.00 74.35 N ATOM 1353 CA ILE A 84 -10.499 6.329 -1.268 1.00 5.24 C ATOM 1354 C ILE A 84 -11.499 7.453 -1.001 1.00 51.53 C ATOM 1355 O ILE A 84 -11.176 8.447 -0.343 1.00 21.22 O ATOM 1356 CB ILE A 84 -9.848 6.525 -2.660 1.00 12.33 C ATOM 1357 CG1 ILE A 84 -8.788 5.436 -2.907 1.00 43.11 C ATOM 1358 CG2 ILE A 84 -9.237 7.921 -2.792 1.00 71.13 C ATOM 1359 CD1 ILE A 84 -7.708 5.372 -1.845 1.00 15.42 C ATOM 0 H ILE A 84 -11.147 4.487 -2.034 1.00 74.35 H new ATOM 0 HA ILE A 84 -9.715 6.364 -0.512 1.00 5.24 H new ATOM 0 HB ILE A 84 -10.625 6.433 -3.419 1.00 12.33 H new ATOM 0 HG12 ILE A 84 -9.284 4.467 -2.964 1.00 43.11 H new ATOM 0 HG13 ILE A 84 -8.320 5.612 -3.876 1.00 43.11 H new ATOM 0 HG21 ILE A 84 -8.787 8.030 -3.779 1.00 71.13 H new ATOM 0 HG22 ILE A 84 -10.016 8.673 -2.663 1.00 71.13 H new ATOM 0 HG23 ILE A 84 -8.472 8.057 -2.028 1.00 71.13 H new ATOM 0 HD11 ILE A 84 -7.001 4.580 -2.092 1.00 15.42 H new ATOM 0 HD12 ILE A 84 -7.183 6.326 -1.802 1.00 15.42 H new ATOM 0 HD13 ILE A 84 -8.162 5.164 -0.876 1.00 15.42 H new ATOM 1371 N TYR A 85 -12.723 7.266 -1.488 1.00 75.33 N ATOM 1372 CA TYR A 85 -13.792 8.253 -1.330 1.00 14.54 C ATOM 1373 C TYR A 85 -14.116 8.471 0.154 1.00 22.21 C ATOM 1374 O TYR A 85 -14.579 9.544 0.552 1.00 41.45 O ATOM 1375 CB TYR A 85 -15.043 7.786 -2.094 1.00 42.40 C ATOM 1376 CG TYR A 85 -16.196 8.775 -2.080 1.00 23.40 C ATOM 1377 CD1 TYR A 85 -16.219 9.855 -2.956 1.00 53.23 C ATOM 1378 CD2 TYR A 85 -17.261 8.627 -1.195 1.00 20.43 C ATOM 1379 CE1 TYR A 85 -17.267 10.757 -2.951 1.00 65.32 C ATOM 1380 CE2 TYR A 85 -18.312 9.525 -1.185 1.00 52.44 C ATOM 1381 CZ TYR A 85 -18.311 10.588 -2.064 1.00 60.41 C ATOM 1382 OH TYR A 85 -19.357 11.483 -2.054 1.00 65.04 O ATOM 0 H TYR A 85 -13.003 6.430 -2.001 1.00 75.33 H new ATOM 0 HA TYR A 85 -13.457 9.205 -1.743 1.00 14.54 H new ATOM 0 HB2 TYR A 85 -14.767 7.584 -3.129 1.00 42.40 H new ATOM 0 HB3 TYR A 85 -15.384 6.844 -1.665 1.00 42.40 H new ATOM 0 HD1 TYR A 85 -15.404 9.991 -3.652 1.00 53.23 H new ATOM 0 HD2 TYR A 85 -17.266 7.796 -0.505 1.00 20.43 H new ATOM 0 HE1 TYR A 85 -17.269 11.590 -3.638 1.00 65.32 H new ATOM 0 HE2 TYR A 85 -19.130 9.395 -0.492 1.00 52.44 H new ATOM 0 HH TYR A 85 -20.008 11.218 -1.371 1.00 65.04 H new ATOM 1392 N GLU A 86 -13.851 7.450 0.963 1.00 62.43 N ATOM 1393 CA GLU A 86 -14.131 7.500 2.396 1.00 35.51 C ATOM 1394 C GLU A 86 -13.259 8.539 3.106 1.00 74.33 C ATOM 1395 O GLU A 86 -13.744 9.295 3.947 1.00 53.32 O ATOM 1396 CB GLU A 86 -13.905 6.117 3.026 1.00 40.32 C ATOM 1397 CG GLU A 86 -14.863 5.042 2.522 1.00 1.24 C ATOM 1398 CD GLU A 86 -16.305 5.323 2.904 1.00 13.20 C ATOM 1399 OE1 GLU A 86 -16.697 4.989 4.045 1.00 72.10 O ATOM 1400 OE2 GLU A 86 -17.050 5.885 2.076 1.00 32.21 O ATOM 0 H GLU A 86 -13.440 6.571 0.648 1.00 62.43 H new ATOM 0 HA GLU A 86 -15.174 7.794 2.519 1.00 35.51 H new ATOM 0 HB2 GLU A 86 -12.882 5.800 2.825 1.00 40.32 H new ATOM 0 HB3 GLU A 86 -14.006 6.201 4.108 1.00 40.32 H new ATOM 0 HG2 GLU A 86 -14.785 4.970 1.437 1.00 1.24 H new ATOM 0 HG3 GLU A 86 -14.565 4.075 2.928 1.00 1.24 H new ATOM 1407 N TYR A 87 -11.976 8.580 2.755 1.00 52.21 N ATOM 1408 CA TYR A 87 -11.013 9.429 3.462 1.00 62.23 C ATOM 1409 C TYR A 87 -10.734 10.723 2.706 1.00 65.15 C ATOM 1410 O TYR A 87 -10.750 11.812 3.284 1.00 31.45 O ATOM 1411 CB TYR A 87 -9.689 8.680 3.670 1.00 54.53 C ATOM 1412 CG TYR A 87 -9.822 7.383 4.444 1.00 31.54 C ATOM 1413 CD1 TYR A 87 -10.298 6.236 3.828 1.00 63.12 C ATOM 1414 CD2 TYR A 87 -9.457 7.303 5.784 1.00 23.15 C ATOM 1415 CE1 TYR A 87 -10.414 5.051 4.520 1.00 33.32 C ATOM 1416 CE2 TYR A 87 -9.566 6.117 6.483 1.00 0.43 C ATOM 1417 CZ TYR A 87 -10.044 4.993 5.844 1.00 3.51 C ATOM 1418 OH TYR A 87 -10.149 3.800 6.527 1.00 72.11 O ATOM 0 H TYR A 87 -11.577 8.038 1.988 1.00 52.21 H new ATOM 0 HA TYR A 87 -11.457 9.679 4.426 1.00 62.23 H new ATOM 0 HB2 TYR A 87 -9.250 8.465 2.696 1.00 54.53 H new ATOM 0 HB3 TYR A 87 -8.994 9.334 4.196 1.00 54.53 H new ATOM 0 HD1 TYR A 87 -10.583 6.272 2.787 1.00 63.12 H new ATOM 0 HD2 TYR A 87 -9.082 8.183 6.286 1.00 23.15 H new ATOM 0 HE1 TYR A 87 -10.794 4.170 4.025 1.00 33.32 H new ATOM 0 HE2 TYR A 87 -9.279 6.070 7.523 1.00 0.43 H new ATOM 0 HH TYR A 87 -9.589 3.124 6.092 1.00 72.11 H new ATOM 1428 N CYS A 88 -10.481 10.596 1.410 1.00 54.14 N ATOM 1429 CA CYS A 88 -9.962 11.707 0.622 1.00 31.43 C ATOM 1430 C CYS A 88 -11.052 12.727 0.291 1.00 4.42 C ATOM 1431 O CYS A 88 -11.698 12.657 -0.757 1.00 61.11 O ATOM 1432 CB CYS A 88 -9.287 11.188 -0.656 1.00 51.25 C ATOM 1433 SG CYS A 88 -8.359 12.445 -1.604 1.00 51.52 S ATOM 0 H CYS A 88 -10.627 9.735 0.882 1.00 54.14 H new ATOM 0 HA CYS A 88 -9.214 12.222 1.226 1.00 31.43 H new ATOM 0 HB2 CYS A 88 -8.605 10.381 -0.387 1.00 51.25 H new ATOM 0 HB3 CYS A 88 -10.051 10.757 -1.303 1.00 51.25 H new ATOM 1438 N ASN A 89 -11.272 13.654 1.220 1.00 21.54 N ATOM 1439 CA ASN A 89 -12.156 14.796 0.988 1.00 0.42 C ATOM 1440 C ASN A 89 -11.326 15.965 0.469 1.00 64.01 C ATOM 1441 O ASN A 89 -11.576 16.496 -0.616 1.00 30.02 O ATOM 1442 CB ASN A 89 -12.877 15.188 2.292 1.00 20.43 C ATOM 1443 CG ASN A 89 -13.887 16.323 2.119 1.00 21.21 C ATOM 1444 OD1 ASN A 89 -13.729 17.206 1.274 1.00 13.24 O ATOM 1445 ND2 ASN A 89 -14.925 16.318 2.942 1.00 2.10 N ATOM 0 H ASN A 89 -10.847 13.637 2.147 1.00 21.54 H new ATOM 0 HA ASN A 89 -12.912 14.529 0.250 1.00 0.42 H new ATOM 0 HB2 ASN A 89 -13.392 14.313 2.689 1.00 20.43 H new ATOM 0 HB3 ASN A 89 -12.134 15.484 3.032 1.00 20.43 H new ATOM 0 HD21 ASN A 89 -15.623 17.060 2.887 1.00 2.10 H new ATOM 0 HD22 ASN A 89 -15.026 15.572 3.630 1.00 2.10 H new ATOM 1452 N PHE A 90 -10.327 16.351 1.261 1.00 52.32 N ATOM 1453 CA PHE A 90 -9.380 17.394 0.881 1.00 5.02 C ATOM 1454 C PHE A 90 -8.158 17.326 1.796 1.00 62.24 C ATOM 1455 O PHE A 90 -8.284 17.019 2.985 1.00 40.12 O ATOM 1456 CB PHE A 90 -10.030 18.785 0.963 1.00 52.15 C ATOM 1457 CG PHE A 90 -9.159 19.891 0.412 1.00 61.15 C ATOM 1458 CD1 PHE A 90 -9.157 20.175 -0.947 1.00 24.11 C ATOM 1459 CD2 PHE A 90 -8.343 20.639 1.248 1.00 3.02 C ATOM 1460 CE1 PHE A 90 -8.359 21.181 -1.458 1.00 73.35 C ATOM 1461 CE2 PHE A 90 -7.541 21.646 0.740 1.00 0.41 C ATOM 1462 CZ PHE A 90 -7.550 21.916 -0.613 1.00 21.00 C ATOM 0 H PHE A 90 -10.153 15.949 2.182 1.00 52.32 H new ATOM 0 HA PHE A 90 -9.072 17.230 -0.152 1.00 5.02 H new ATOM 0 HB2 PHE A 90 -10.973 18.769 0.416 1.00 52.15 H new ATOM 0 HB3 PHE A 90 -10.268 19.005 2.004 1.00 52.15 H new ATOM 0 HD1 PHE A 90 -9.786 19.603 -1.613 1.00 24.11 H new ATOM 0 HD2 PHE A 90 -8.333 20.433 2.308 1.00 3.02 H new ATOM 0 HE1 PHE A 90 -8.368 21.392 -2.517 1.00 73.35 H new ATOM 0 HE2 PHE A 90 -6.909 22.220 1.402 1.00 0.41 H new ATOM 0 HZ PHE A 90 -6.925 22.702 -1.011 1.00 21.00 H new ATOM 1472 N GLY A 91 -6.982 17.601 1.239 1.00 50.34 N ATOM 1473 CA GLY A 91 -5.752 17.508 2.006 1.00 64.43 C ATOM 1474 C GLY A 91 -5.372 16.066 2.273 1.00 41.43 C ATOM 1475 O GLY A 91 -4.612 15.768 3.198 1.00 41.42 O ATOM 0 H GLY A 91 -6.859 17.887 0.268 1.00 50.34 H new ATOM 0 HA2 GLY A 91 -4.946 18.003 1.465 1.00 64.43 H new ATOM 0 HA3 GLY A 91 -5.871 18.035 2.953 1.00 64.43 H new ATOM 1479 N CYS A 92 -5.909 15.169 1.454 1.00 72.31 N ATOM 1480 CA CYS A 92 -5.664 13.740 1.589 1.00 45.41 C ATOM 1481 C CYS A 92 -4.372 13.332 0.884 1.00 50.34 C ATOM 1482 O CYS A 92 -3.846 14.067 0.046 1.00 1.45 O ATOM 1483 CB CYS A 92 -6.858 12.956 1.029 1.00 33.44 C ATOM 1484 SG CYS A 92 -7.815 13.858 -0.242 1.00 25.22 S ATOM 0 H CYS A 92 -6.526 15.413 0.679 1.00 72.31 H new ATOM 0 HA CYS A 92 -5.548 13.506 2.647 1.00 45.41 H new ATOM 0 HB2 CYS A 92 -6.496 12.021 0.600 1.00 33.44 H new ATOM 0 HB3 CYS A 92 -7.524 12.693 1.851 1.00 33.44 H new ATOM 1489 N ALA A 93 -3.860 12.165 1.254 1.00 52.12 N ATOM 1490 CA ALA A 93 -2.668 11.600 0.636 1.00 61.03 C ATOM 1491 C ALA A 93 -2.637 10.094 0.870 1.00 54.40 C ATOM 1492 O ALA A 93 -3.041 9.625 1.938 1.00 12.15 O ATOM 1493 CB ALA A 93 -1.409 12.253 1.197 1.00 64.12 C ATOM 0 H ALA A 93 -4.260 11.584 1.991 1.00 52.12 H new ATOM 0 HA ALA A 93 -2.699 11.795 -0.436 1.00 61.03 H new ATOM 0 HB1 ALA A 93 -0.530 11.817 0.722 1.00 64.12 H new ATOM 0 HB2 ALA A 93 -1.435 13.324 0.997 1.00 64.12 H new ATOM 0 HB3 ALA A 93 -1.361 12.085 2.273 1.00 64.12 H new ATOM 1499 N TYR A 94 -2.177 9.342 -0.124 1.00 64.35 N ATOM 1500 CA TYR A 94 -2.092 7.888 -0.014 1.00 23.32 C ATOM 1501 C TYR A 94 -1.211 7.315 -1.126 1.00 13.13 C ATOM 1502 O TYR A 94 -0.759 8.048 -2.014 1.00 54.11 O ATOM 1503 CB TYR A 94 -3.495 7.247 -0.057 1.00 10.32 C ATOM 1504 CG TYR A 94 -4.225 7.413 -1.378 1.00 3.42 C ATOM 1505 CD1 TYR A 94 -4.060 6.486 -2.400 1.00 71.05 C ATOM 1506 CD2 TYR A 94 -5.080 8.489 -1.603 1.00 24.23 C ATOM 1507 CE1 TYR A 94 -4.717 6.625 -3.603 1.00 3.55 C ATOM 1508 CE2 TYR A 94 -5.744 8.633 -2.808 1.00 31.02 C ATOM 1509 CZ TYR A 94 -5.557 7.697 -3.804 1.00 31.41 C ATOM 1510 OH TYR A 94 -6.209 7.835 -5.009 1.00 1.11 O ATOM 0 H TYR A 94 -1.856 9.715 -1.017 1.00 64.35 H new ATOM 0 HA TYR A 94 -1.638 7.650 0.948 1.00 23.32 H new ATOM 0 HB2 TYR A 94 -3.401 6.183 0.160 1.00 10.32 H new ATOM 0 HB3 TYR A 94 -4.103 7.681 0.736 1.00 10.32 H new ATOM 0 HD1 TYR A 94 -3.405 5.641 -2.248 1.00 71.05 H new ATOM 0 HD2 TYR A 94 -5.227 9.223 -0.824 1.00 24.23 H new ATOM 0 HE1 TYR A 94 -4.573 5.895 -4.386 1.00 3.55 H new ATOM 0 HE2 TYR A 94 -6.404 9.473 -2.968 1.00 31.02 H new ATOM 0 HH TYR A 94 -5.663 7.444 -5.723 1.00 1.11 H new ATOM 1520 N PHE A 95 -0.983 6.006 -1.073 1.00 54.34 N ATOM 1521 CA PHE A 95 -0.165 5.308 -2.064 1.00 13.32 C ATOM 1522 C PHE A 95 -0.608 3.852 -2.195 1.00 42.55 C ATOM 1523 O PHE A 95 -1.015 3.234 -1.209 1.00 11.45 O ATOM 1524 CB PHE A 95 1.318 5.384 -1.676 1.00 63.44 C ATOM 1525 CG PHE A 95 1.618 4.904 -0.274 1.00 74.43 C ATOM 1526 CD1 PHE A 95 1.520 5.770 0.805 1.00 13.33 C ATOM 1527 CD2 PHE A 95 2.008 3.593 -0.038 1.00 11.14 C ATOM 1528 CE1 PHE A 95 1.801 5.338 2.086 1.00 41.42 C ATOM 1529 CE2 PHE A 95 2.293 3.158 1.241 1.00 55.14 C ATOM 1530 CZ PHE A 95 2.191 4.032 2.304 1.00 13.10 C ATOM 0 H PHE A 95 -1.358 5.399 -0.344 1.00 54.34 H new ATOM 0 HA PHE A 95 -0.299 5.795 -3.030 1.00 13.32 H new ATOM 0 HB2 PHE A 95 1.898 4.790 -2.383 1.00 63.44 H new ATOM 0 HB3 PHE A 95 1.655 6.416 -1.775 1.00 63.44 H new ATOM 0 HD1 PHE A 95 1.220 6.795 0.641 1.00 13.33 H new ATOM 0 HD2 PHE A 95 2.090 2.904 -0.866 1.00 11.14 H new ATOM 0 HE1 PHE A 95 1.716 6.022 2.917 1.00 41.42 H new ATOM 0 HE2 PHE A 95 2.595 2.135 1.409 1.00 55.14 H new ATOM 0 HZ PHE A 95 2.416 3.695 3.305 1.00 13.10 H new ATOM 1540 N VAL A 96 -0.535 3.313 -3.413 1.00 65.11 N ATOM 1541 CA VAL A 96 -0.943 1.936 -3.681 1.00 14.42 C ATOM 1542 C VAL A 96 0.222 1.127 -4.257 1.00 42.32 C ATOM 1543 O VAL A 96 0.740 1.447 -5.335 1.00 3.35 O ATOM 1544 CB VAL A 96 -2.131 1.880 -4.677 1.00 33.22 C ATOM 1545 CG1 VAL A 96 -2.615 0.442 -4.868 1.00 52.14 C ATOM 1546 CG2 VAL A 96 -3.274 2.785 -4.218 1.00 42.43 C ATOM 0 H VAL A 96 -0.195 3.814 -4.233 1.00 65.11 H new ATOM 0 HA VAL A 96 -1.256 1.505 -2.730 1.00 14.42 H new ATOM 0 HB VAL A 96 -1.779 2.248 -5.641 1.00 33.22 H new ATOM 0 HG11 VAL A 96 -3.448 0.429 -5.571 1.00 52.14 H new ATOM 0 HG12 VAL A 96 -1.800 -0.167 -5.260 1.00 52.14 H new ATOM 0 HG13 VAL A 96 -2.942 0.038 -3.910 1.00 52.14 H new ATOM 0 HG21 VAL A 96 -4.094 2.727 -4.934 1.00 42.43 H new ATOM 0 HG22 VAL A 96 -3.624 2.460 -3.238 1.00 42.43 H new ATOM 0 HG23 VAL A 96 -2.920 3.814 -4.154 1.00 42.43 H new ATOM 1556 N LEU A 97 0.638 0.096 -3.527 1.00 4.31 N ATOM 1557 CA LEU A 97 1.683 -0.823 -3.978 1.00 61.50 C ATOM 1558 C LEU A 97 1.067 -2.152 -4.411 1.00 21.43 C ATOM 1559 O LEU A 97 0.290 -2.757 -3.667 1.00 73.12 O ATOM 1560 CB LEU A 97 2.722 -1.066 -2.866 1.00 23.53 C ATOM 1561 CG LEU A 97 3.869 -0.040 -2.775 1.00 64.31 C ATOM 1562 CD1 LEU A 97 3.347 1.369 -2.528 1.00 71.13 C ATOM 1563 CD2 LEU A 97 4.859 -0.446 -1.686 1.00 75.33 C ATOM 0 H LEU A 97 0.261 -0.127 -2.606 1.00 4.31 H new ATOM 0 HA LEU A 97 2.189 -0.367 -4.829 1.00 61.50 H new ATOM 0 HB2 LEU A 97 2.202 -1.085 -1.908 1.00 23.53 H new ATOM 0 HB3 LEU A 97 3.157 -2.055 -3.012 1.00 23.53 H new ATOM 0 HG LEU A 97 4.385 -0.033 -3.735 1.00 64.31 H new ATOM 0 HD11 LEU A 97 4.186 2.063 -2.470 1.00 71.13 H new ATOM 0 HD12 LEU A 97 2.689 1.662 -3.346 1.00 71.13 H new ATOM 0 HD13 LEU A 97 2.792 1.392 -1.590 1.00 71.13 H new ATOM 0 HD21 LEU A 97 5.663 0.288 -1.633 1.00 75.33 H new ATOM 0 HD22 LEU A 97 4.345 -0.491 -0.726 1.00 75.33 H new ATOM 0 HD23 LEU A 97 5.276 -1.425 -1.920 1.00 75.33 H new ATOM 1575 N LYS A 98 1.415 -2.594 -5.615 1.00 50.25 N ATOM 1576 CA LYS A 98 0.941 -3.872 -6.143 1.00 21.30 C ATOM 1577 C LYS A 98 2.079 -4.887 -6.180 1.00 73.23 C ATOM 1578 O LYS A 98 3.210 -4.549 -6.537 1.00 40.42 O ATOM 1579 CB LYS A 98 0.350 -3.686 -7.549 1.00 1.30 C ATOM 1580 CG LYS A 98 -0.023 -4.997 -8.240 1.00 61.23 C ATOM 1581 CD LYS A 98 -0.850 -4.769 -9.506 1.00 4.24 C ATOM 1582 CE LYS A 98 -1.226 -6.089 -10.175 1.00 14.31 C ATOM 1583 NZ LYS A 98 -2.362 -5.936 -11.123 1.00 15.02 N ATOM 0 H LYS A 98 2.029 -2.082 -6.249 1.00 50.25 H new ATOM 0 HA LYS A 98 0.159 -4.248 -5.484 1.00 21.30 H new ATOM 0 HB2 LYS A 98 -0.538 -3.057 -7.479 1.00 1.30 H new ATOM 0 HB3 LYS A 98 1.071 -3.152 -8.168 1.00 1.30 H new ATOM 0 HG2 LYS A 98 0.886 -5.542 -8.495 1.00 61.23 H new ATOM 0 HG3 LYS A 98 -0.587 -5.623 -7.548 1.00 61.23 H new ATOM 0 HD2 LYS A 98 -1.755 -4.216 -9.256 1.00 4.24 H new ATOM 0 HD3 LYS A 98 -0.284 -4.154 -10.206 1.00 4.24 H new ATOM 0 HE2 LYS A 98 -0.361 -6.483 -10.708 1.00 14.31 H new ATOM 0 HE3 LYS A 98 -1.489 -6.820 -9.410 1.00 14.31 H new ATOM 0 HZ1 LYS A 98 -2.254 -6.612 -11.906 1.00 15.02 H new ATOM 0 HZ2 LYS A 98 -3.256 -6.122 -10.626 1.00 15.02 H new ATOM 0 HZ3 LYS A 98 -2.371 -4.967 -11.501 1.00 15.02 H new ATOM 1597 N ARG A 99 1.773 -6.119 -5.792 1.00 54.55 N ATOM 1598 CA ARG A 99 2.753 -7.200 -5.782 1.00 52.44 C ATOM 1599 C ARG A 99 3.150 -7.585 -7.201 1.00 25.33 C ATOM 1600 O ARG A 99 2.296 -7.722 -8.081 1.00 50.44 O ATOM 1601 CB ARG A 99 2.177 -8.430 -5.073 1.00 1.23 C ATOM 1602 CG ARG A 99 3.184 -9.558 -4.847 1.00 15.14 C ATOM 1603 CD ARG A 99 4.166 -9.221 -3.729 1.00 43.41 C ATOM 1604 NE ARG A 99 5.081 -10.329 -3.437 1.00 10.45 N ATOM 1605 CZ ARG A 99 4.841 -11.284 -2.531 1.00 13.11 C ATOM 1606 NH1 ARG A 99 3.643 -11.377 -1.959 1.00 64.43 N ATOM 1607 NH2 ARG A 99 5.782 -12.176 -2.240 1.00 54.03 N ATOM 0 H ARG A 99 0.844 -6.397 -5.477 1.00 54.55 H new ATOM 0 HA ARG A 99 3.635 -6.847 -5.248 1.00 52.44 H new ATOM 0 HB2 ARG A 99 1.772 -8.122 -4.109 1.00 1.23 H new ATOM 0 HB3 ARG A 99 1.344 -8.816 -5.660 1.00 1.23 H new ATOM 0 HG2 ARG A 99 2.652 -10.477 -4.600 1.00 15.14 H new ATOM 0 HG3 ARG A 99 3.733 -9.746 -5.770 1.00 15.14 H new ATOM 0 HD2 ARG A 99 4.744 -8.340 -4.010 1.00 43.41 H new ATOM 0 HD3 ARG A 99 3.611 -8.964 -2.827 1.00 43.41 H new ATOM 0 HE ARG A 99 5.957 -10.375 -3.958 1.00 10.45 H new ATOM 0 HH11 ARG A 99 2.905 -10.719 -2.211 1.00 64.43 H new ATOM 0 HH12 ARG A 99 3.463 -12.106 -1.269 1.00 64.43 H new ATOM 0 HH21 ARG A 99 6.688 -12.133 -2.707 1.00 54.03 H new ATOM 0 HH22 ARG A 99 5.599 -12.904 -1.549 1.00 54.03 H new ATOM 1621 N ILE A 100 4.446 -7.758 -7.415 1.00 2.21 N ATOM 1622 CA ILE A 100 4.962 -8.246 -8.685 1.00 41.01 C ATOM 1623 C ILE A 100 5.394 -9.700 -8.517 1.00 60.43 C ATOM 1624 O ILE A 100 5.942 -10.075 -7.478 1.00 0.13 O ATOM 1625 CB ILE A 100 6.156 -7.391 -9.185 1.00 25.13 C ATOM 1626 CG1 ILE A 100 5.802 -5.895 -9.129 1.00 64.41 C ATOM 1627 CG2 ILE A 100 6.543 -7.790 -10.609 1.00 32.31 C ATOM 1628 CD1 ILE A 100 4.586 -5.522 -9.950 1.00 62.04 C ATOM 0 H ILE A 100 5.165 -7.565 -6.718 1.00 2.21 H new ATOM 0 HA ILE A 100 4.172 -8.171 -9.432 1.00 41.01 H new ATOM 0 HB ILE A 100 7.009 -7.574 -8.531 1.00 25.13 H new ATOM 0 HG12 ILE A 100 5.629 -5.611 -8.091 1.00 64.41 H new ATOM 0 HG13 ILE A 100 6.656 -5.316 -9.479 1.00 64.41 H new ATOM 0 HG21 ILE A 100 7.382 -7.180 -10.943 1.00 32.31 H new ATOM 0 HG22 ILE A 100 6.829 -8.842 -10.627 1.00 32.31 H new ATOM 0 HG23 ILE A 100 5.694 -7.634 -11.274 1.00 32.31 H new ATOM 0 HD11 ILE A 100 4.400 -4.452 -9.860 1.00 62.04 H new ATOM 0 HD12 ILE A 100 4.762 -5.773 -10.996 1.00 62.04 H new ATOM 0 HD13 ILE A 100 3.718 -6.073 -9.586 1.00 62.04 H new ATOM 1640 N ARG A 101 5.133 -10.526 -9.524 1.00 4.11 N ATOM 1641 CA ARG A 101 5.381 -11.961 -9.418 1.00 4.23 C ATOM 1642 C ARG A 101 6.851 -12.312 -9.666 1.00 13.34 C ATOM 1643 O ARG A 101 7.211 -12.826 -10.729 1.00 71.31 O ATOM 1644 CB ARG A 101 4.463 -12.744 -10.366 1.00 11.21 C ATOM 1645 CG ARG A 101 2.998 -12.723 -9.939 1.00 44.21 C ATOM 1646 CD ARG A 101 2.102 -13.482 -10.913 1.00 65.52 C ATOM 1647 NE ARG A 101 0.757 -13.682 -10.369 1.00 61.44 N ATOM 1648 CZ ARG A 101 -0.324 -13.931 -11.108 1.00 52.12 C ATOM 1649 NH1 ARG A 101 -0.263 -13.865 -12.433 1.00 2.44 N ATOM 1650 NH2 ARG A 101 -1.477 -14.206 -10.516 1.00 73.13 N ATOM 0 H ARG A 101 4.751 -10.228 -10.422 1.00 4.11 H new ATOM 0 HA ARG A 101 5.151 -12.253 -8.394 1.00 4.23 H new ATOM 0 HB2 ARG A 101 4.548 -12.328 -11.370 1.00 11.21 H new ATOM 0 HB3 ARG A 101 4.804 -13.778 -10.420 1.00 11.21 H new ATOM 0 HG2 ARG A 101 2.905 -13.161 -8.945 1.00 44.21 H new ATOM 0 HG3 ARG A 101 2.658 -11.690 -9.865 1.00 44.21 H new ATOM 0 HD2 ARG A 101 2.037 -12.932 -11.852 1.00 65.52 H new ATOM 0 HD3 ARG A 101 2.550 -14.449 -11.141 1.00 65.52 H new ATOM 0 HE ARG A 101 0.640 -13.627 -9.357 1.00 61.44 H new ATOM 0 HH11 ARG A 101 0.615 -13.622 -12.892 1.00 2.44 H new ATOM 0 HH12 ARG A 101 -1.094 -14.057 -12.992 1.00 2.44 H new ATOM 0 HH21 ARG A 101 -1.535 -14.227 -9.498 1.00 73.13 H new ATOM 0 HH22 ARG A 101 -2.306 -14.397 -11.078 1.00 73.13 H new ATOM 1664 N LYS A 102 7.685 -11.960 -8.689 1.00 0.32 N ATOM 1665 CA LYS A 102 9.078 -12.402 -8.597 1.00 61.13 C ATOM 1666 C LYS A 102 9.750 -11.662 -7.444 1.00 54.42 C ATOM 1667 O LYS A 102 9.117 -10.848 -6.768 1.00 71.14 O ATOM 1668 CB LYS A 102 9.891 -12.174 -9.898 1.00 14.42 C ATOM 1669 CG LYS A 102 10.345 -10.731 -10.138 1.00 73.24 C ATOM 1670 CD LYS A 102 9.236 -9.834 -10.679 1.00 4.34 C ATOM 1671 CE LYS A 102 9.026 -10.010 -12.184 1.00 74.21 C ATOM 1672 NZ LYS A 102 8.514 -11.361 -12.551 1.00 4.53 N ATOM 0 H LYS A 102 7.407 -11.347 -7.923 1.00 0.32 H new ATOM 0 HA LYS A 102 9.063 -13.479 -8.429 1.00 61.13 H new ATOM 0 HB2 LYS A 102 10.772 -12.816 -9.875 1.00 14.42 H new ATOM 0 HB3 LYS A 102 9.286 -12.494 -10.746 1.00 14.42 H new ATOM 0 HG2 LYS A 102 10.717 -10.314 -9.202 1.00 73.24 H new ATOM 0 HG3 LYS A 102 11.178 -10.731 -10.841 1.00 73.24 H new ATOM 0 HD2 LYS A 102 8.305 -10.056 -10.157 1.00 4.34 H new ATOM 0 HD3 LYS A 102 9.479 -8.793 -10.468 1.00 4.34 H new ATOM 0 HE2 LYS A 102 8.324 -9.254 -12.537 1.00 74.21 H new ATOM 0 HE3 LYS A 102 9.970 -9.834 -12.699 1.00 74.21 H new ATOM 0 HZ1 LYS A 102 7.975 -11.299 -13.438 1.00 4.53 H new ATOM 0 HZ2 LYS A 102 9.314 -12.013 -12.677 1.00 4.53 H new ATOM 0 HZ3 LYS A 102 7.895 -11.715 -11.794 1.00 4.53 H new ATOM 1686 N LEU A 103 11.023 -11.956 -7.224 1.00 33.22 N ATOM 1687 CA LEU A 103 11.832 -11.238 -6.251 1.00 35.31 C ATOM 1688 C LEU A 103 13.249 -11.131 -6.798 1.00 11.21 C ATOM 1689 O LEU A 103 13.904 -12.153 -7.027 1.00 44.52 O ATOM 1690 CB LEU A 103 11.805 -11.965 -4.887 1.00 25.42 C ATOM 1691 CG LEU A 103 12.390 -11.196 -3.674 1.00 25.14 C ATOM 1692 CD1 LEU A 103 13.918 -11.148 -3.709 1.00 74.15 C ATOM 1693 CD2 LEU A 103 11.814 -9.782 -3.600 1.00 13.13 C ATOM 0 H LEU A 103 11.523 -12.698 -7.714 1.00 33.22 H new ATOM 0 HA LEU A 103 11.432 -10.237 -6.088 1.00 35.31 H new ATOM 0 HB2 LEU A 103 10.771 -12.222 -4.659 1.00 25.42 H new ATOM 0 HB3 LEU A 103 12.351 -12.903 -4.991 1.00 25.42 H new ATOM 0 HG LEU A 103 12.099 -11.742 -2.777 1.00 25.14 H new ATOM 0 HD11 LEU A 103 14.285 -10.600 -2.841 1.00 74.15 H new ATOM 0 HD12 LEU A 103 14.314 -12.163 -3.691 1.00 74.15 H new ATOM 0 HD13 LEU A 103 14.246 -10.646 -4.620 1.00 74.15 H new ATOM 0 HD21 LEU A 103 12.238 -9.261 -2.742 1.00 13.13 H new ATOM 0 HD22 LEU A 103 12.062 -9.240 -4.513 1.00 13.13 H new ATOM 0 HD23 LEU A 103 10.731 -9.836 -3.493 1.00 13.13 H new ATOM 1705 N GLU A 104 13.706 -9.906 -7.043 1.00 15.24 N ATOM 1706 CA GLU A 104 15.044 -9.678 -7.578 1.00 30.11 C ATOM 1707 C GLU A 104 16.107 -10.228 -6.626 1.00 3.10 C ATOM 1708 O GLU A 104 16.625 -9.513 -5.764 1.00 34.53 O ATOM 1709 CB GLU A 104 15.275 -8.187 -7.855 1.00 35.44 C ATOM 1710 CG GLU A 104 16.648 -7.876 -8.443 1.00 72.44 C ATOM 1711 CD GLU A 104 16.791 -6.426 -8.870 1.00 62.33 C ATOM 1712 OE1 GLU A 104 16.851 -5.544 -7.991 1.00 52.23 O ATOM 1713 OE2 GLU A 104 16.844 -6.165 -10.092 1.00 21.31 O ATOM 0 H GLU A 104 13.168 -9.055 -6.879 1.00 15.24 H new ATOM 0 HA GLU A 104 15.128 -10.212 -8.525 1.00 30.11 H new ATOM 0 HB2 GLU A 104 14.507 -7.831 -8.542 1.00 35.44 H new ATOM 0 HB3 GLU A 104 15.154 -7.631 -6.925 1.00 35.44 H new ATOM 0 HG2 GLU A 104 17.416 -8.110 -7.705 1.00 72.44 H new ATOM 0 HG3 GLU A 104 16.825 -8.522 -9.303 1.00 72.44 H new ATOM 1720 N HIS A 105 16.387 -11.518 -6.769 1.00 62.44 N ATOM 1721 CA HIS A 105 17.403 -12.190 -5.970 1.00 53.02 C ATOM 1722 C HIS A 105 18.788 -11.694 -6.369 1.00 53.13 C ATOM 1723 O HIS A 105 19.426 -12.242 -7.270 1.00 1.14 O ATOM 1724 CB HIS A 105 17.296 -13.715 -6.131 1.00 45.11 C ATOM 1725 CG HIS A 105 16.025 -14.292 -5.575 1.00 31.24 C ATOM 1726 ND1 HIS A 105 14.992 -14.764 -6.359 1.00 41.13 N ATOM 1727 CD2 HIS A 105 15.630 -14.483 -4.292 1.00 32.24 C ATOM 1728 CE1 HIS A 105 14.023 -15.218 -5.585 1.00 44.34 C ATOM 1729 NE2 HIS A 105 14.385 -15.060 -4.327 1.00 44.01 N ATOM 0 H HIS A 105 15.917 -12.126 -7.440 1.00 62.44 H new ATOM 0 HA HIS A 105 17.240 -11.954 -4.918 1.00 53.02 H new ATOM 0 HB2 HIS A 105 17.366 -13.966 -7.189 1.00 45.11 H new ATOM 0 HB3 HIS A 105 18.146 -14.185 -5.635 1.00 45.11 H new ATOM 0 HD2 HIS A 105 16.192 -14.228 -3.406 1.00 32.24 H new ATOM 0 HE1 HIS A 105 13.092 -15.646 -5.925 1.00 44.34 H new ATOM 0 HE2 HIS A 105 13.830 -15.324 -3.513 1.00 44.01 H new ATOM 1738 N HIS A 106 19.219 -10.625 -5.710 1.00 64.42 N ATOM 1739 CA HIS A 106 20.499 -9.985 -6.002 1.00 71.41 C ATOM 1740 C HIS A 106 21.644 -10.975 -5.836 1.00 43.40 C ATOM 1741 O HIS A 106 22.555 -11.033 -6.665 1.00 62.31 O ATOM 1742 CB HIS A 106 20.716 -8.774 -5.085 1.00 23.04 C ATOM 1743 CG HIS A 106 19.638 -7.739 -5.188 1.00 50.14 C ATOM 1744 ND1 HIS A 106 18.612 -7.630 -4.278 1.00 55.31 N ATOM 1745 CD2 HIS A 106 19.434 -6.759 -6.099 1.00 11.53 C ATOM 1746 CE1 HIS A 106 17.824 -6.633 -4.622 1.00 63.30 C ATOM 1747 NE2 HIS A 106 18.299 -6.084 -5.725 1.00 40.21 N ATOM 0 H HIS A 106 18.693 -10.177 -4.959 1.00 64.42 H new ATOM 0 HA HIS A 106 20.480 -9.644 -7.037 1.00 71.41 H new ATOM 0 HB2 HIS A 106 20.779 -9.118 -4.053 1.00 23.04 H new ATOM 0 HB3 HIS A 106 21.674 -8.313 -5.327 1.00 23.04 H new ATOM 0 HD2 HIS A 106 20.050 -6.547 -6.960 1.00 11.53 H new ATOM 0 HE1 HIS A 106 16.938 -6.317 -4.091 1.00 63.30 H new ATOM 0 HE2 HIS A 106 17.890 -5.290 -6.217 1.00 40.21 H new ATOM 1756 N HIS A 107 21.596 -11.743 -4.752 1.00 51.33 N ATOM 1757 CA HIS A 107 22.579 -12.795 -4.489 1.00 54.41 C ATOM 1758 C HIS A 107 21.898 -14.003 -3.863 1.00 72.14 C ATOM 1759 O HIS A 107 21.683 -14.041 -2.650 1.00 10.01 O ATOM 1760 CB HIS A 107 23.696 -12.294 -3.556 1.00 44.41 C ATOM 1761 CG HIS A 107 24.654 -11.341 -4.196 1.00 21.45 C ATOM 1762 ND1 HIS A 107 25.888 -11.723 -4.671 1.00 43.11 N ATOM 1763 CD2 HIS A 107 24.555 -10.013 -4.442 1.00 74.24 C ATOM 1764 CE1 HIS A 107 26.505 -10.678 -5.180 1.00 24.10 C ATOM 1765 NE2 HIS A 107 25.719 -9.628 -5.052 1.00 70.34 N ATOM 0 H HIS A 107 20.879 -11.656 -4.032 1.00 51.33 H new ATOM 0 HA HIS A 107 23.026 -13.080 -5.441 1.00 54.41 H new ATOM 0 HB2 HIS A 107 23.241 -11.808 -2.693 1.00 44.41 H new ATOM 0 HB3 HIS A 107 24.253 -13.153 -3.182 1.00 44.41 H new ATOM 0 HD2 HIS A 107 23.716 -9.377 -4.202 1.00 74.24 H new ATOM 0 HE1 HIS A 107 27.488 -10.680 -5.627 1.00 24.10 H new ATOM 0 HE2 HIS A 107 25.942 -8.681 -5.358 1.00 70.34 H new ATOM 1774 N HIS A 108 21.526 -14.981 -4.686 1.00 22.33 N ATOM 1775 CA HIS A 108 20.969 -16.220 -4.161 1.00 72.22 C ATOM 1776 C HIS A 108 22.096 -17.043 -3.530 1.00 55.31 C ATOM 1777 O HIS A 108 22.892 -17.675 -4.228 1.00 4.23 O ATOM 1778 CB HIS A 108 20.206 -17.017 -5.241 1.00 42.42 C ATOM 1779 CG HIS A 108 21.054 -17.641 -6.316 1.00 21.24 C ATOM 1780 ND1 HIS A 108 21.537 -18.929 -6.233 1.00 75.41 N ATOM 1781 CD2 HIS A 108 21.479 -17.163 -7.510 1.00 10.44 C ATOM 1782 CE1 HIS A 108 22.218 -19.213 -7.325 1.00 2.31 C ATOM 1783 NE2 HIS A 108 22.198 -18.160 -8.116 1.00 43.44 N ATOM 0 H HIS A 108 21.599 -14.940 -5.703 1.00 22.33 H new ATOM 0 HA HIS A 108 20.231 -15.980 -3.395 1.00 72.22 H new ATOM 0 HB2 HIS A 108 19.637 -17.806 -4.749 1.00 42.42 H new ATOM 0 HB3 HIS A 108 19.484 -16.352 -5.714 1.00 42.42 H new ATOM 0 HD2 HIS A 108 21.287 -16.179 -7.910 1.00 10.44 H new ATOM 0 HE1 HIS A 108 22.710 -20.151 -7.536 1.00 2.31 H new ATOM 0 HE2 HIS A 108 22.645 -18.097 -9.031 1.00 43.44 H new ATOM 1792 N HIS A 109 22.179 -16.975 -2.203 1.00 63.22 N ATOM 1793 CA HIS A 109 23.265 -17.597 -1.446 1.00 70.12 C ATOM 1794 C HIS A 109 23.408 -19.076 -1.809 1.00 43.02 C ATOM 1795 O HIS A 109 22.646 -19.924 -1.333 1.00 61.14 O ATOM 1796 CB HIS A 109 23.020 -17.430 0.064 1.00 32.43 C ATOM 1797 CG HIS A 109 24.128 -17.950 0.938 1.00 13.33 C ATOM 1798 ND1 HIS A 109 23.935 -18.912 1.906 1.00 61.21 N ATOM 1799 CD2 HIS A 109 25.440 -17.616 1.003 1.00 64.03 C ATOM 1800 CE1 HIS A 109 25.076 -19.146 2.525 1.00 63.14 C ATOM 1801 NE2 HIS A 109 26.005 -18.376 1.998 1.00 71.10 N ATOM 0 H HIS A 109 21.497 -16.488 -1.622 1.00 63.22 H new ATOM 0 HA HIS A 109 24.198 -17.097 -1.707 1.00 70.12 H new ATOM 0 HB2 HIS A 109 22.870 -16.372 0.280 1.00 32.43 H new ATOM 0 HB3 HIS A 109 22.095 -17.943 0.328 1.00 32.43 H new ATOM 0 HD2 HIS A 109 25.947 -16.888 0.387 1.00 64.03 H new ATOM 0 HE1 HIS A 109 25.224 -19.851 3.330 1.00 63.14 H new ATOM 0 HE2 HIS A 109 26.984 -18.348 2.282 1.00 71.10 H new ATOM 1810 N HIS A 110 24.368 -19.370 -2.681 1.00 32.25 N ATOM 1811 CA HIS A 110 24.614 -20.736 -3.129 1.00 13.45 C ATOM 1812 C HIS A 110 25.773 -21.344 -2.339 1.00 53.34 C ATOM 1813 O HIS A 110 25.546 -22.345 -1.621 1.00 37.95 O ATOM 1814 CB HIS A 110 24.869 -20.786 -4.654 1.00 64.41 C ATOM 1815 CG HIS A 110 26.058 -20.004 -5.135 1.00 74.21 C ATOM 1816 ND1 HIS A 110 26.027 -18.643 -5.356 1.00 10.11 N ATOM 1817 CD2 HIS A 110 27.312 -20.405 -5.459 1.00 1.01 C ATOM 1818 CE1 HIS A 110 27.206 -18.245 -5.797 1.00 71.21 C ATOM 1819 NE2 HIS A 110 28.003 -19.293 -5.869 1.00 11.33 N ATOM 1820 OXT HIS A 110 26.893 -20.792 -2.391 1.00 37.95 O ATOM 0 H HIS A 110 24.991 -18.676 -3.093 1.00 32.25 H new ATOM 0 HA HIS A 110 23.723 -21.334 -2.938 1.00 13.45 H new ATOM 0 HB2 HIS A 110 24.997 -21.827 -4.950 1.00 64.41 H new ATOM 0 HB3 HIS A 110 23.981 -20.416 -5.166 1.00 64.41 H new ATOM 0 HD2 HIS A 110 27.696 -21.413 -5.404 1.00 1.01 H new ATOM 0 HE1 HIS A 110 27.473 -17.231 -6.055 1.00 71.21 H new ATOM 0 HE2 HIS A 110 28.975 -19.279 -6.179 1.00 11.33 H new TER 1829 HIS A 110