USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 732 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 29 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 58 GLN : amide:sc= -3.16! C(o=-3.2!,f=-1.9!) USER MOD Set 2.1: A 20 THR OG1 : rot -140:sc= -0.153 USER MOD Set 2.2: A 23 HIS : no HE2:sc= -3.65! C(o=-3.8!,f=-6.9!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.7!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.679 K(o=-0.68,f=-1.8) USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= -0.044 (180deg=-0.389) USER MOD Single : A 32 THR OG1 : rot 102:sc= 0.807 USER MOD Single : A 34 HIS : no HD1:sc= -0.0819 X(o=-0.082,f=-0.0037) USER MOD Single : A 36 THR OG1 : rot -51:sc= 0.26 USER MOD Single : A 37 HIS : no HD1:sc= -0.517 K(o=-0.52,f=0.084) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.193 USER MOD Single : A 46 HIS : no HD1:sc= -5.14! C(o=-5.1!,f=-4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 72:sc= -10.7! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0233 K(o=-0.023,f=-0.9) USER MOD Single : A 67 ASN : amide:sc=-0.00201 X(o=-0.002,f=0) USER MOD Single : A 68 GLN : amide:sc=-0.00874 X(o=-0.0087,f=-0.39) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 84:sc= 0.0107 USER MOD Single : A 79 HIS : no HD1:sc= -0.325 X(o=-0.33,f=-0.17) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 90 HIS : no HD1:sc= -0.994 K(o=-0.99,f=-0.065) USER MOD Single : A 93 LYS NZ :NH3+ -155:sc=-0.000124 (180deg=-0.102) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 7 -14.276 6.778 -8.762 1.00 0.00 N ATOM 24 CA GLU A 7 -13.165 6.836 -7.828 1.00 0.00 C ATOM 25 C GLU A 7 -12.032 7.689 -8.403 1.00 0.00 C ATOM 26 O GLU A 7 -10.998 7.162 -8.810 1.00 0.00 O ATOM 27 CB GLU A 7 -12.669 5.432 -7.477 1.00 0.00 C ATOM 28 CG GLU A 7 -13.435 4.864 -6.279 1.00 0.00 C ATOM 29 CD GLU A 7 -12.494 4.115 -5.333 1.00 0.00 C ATOM 30 OE1 GLU A 7 -11.587 3.434 -5.856 1.00 0.00 O ATOM 31 OE2 GLU A 7 -12.704 4.242 -4.107 1.00 0.00 O ATOM 0 HA GLU A 7 -13.515 7.303 -6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.791 4.774 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.603 5.465 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.929 5.673 -5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.217 4.190 -6.629 1.00 0.00 H new ATOM 38 N ARG A 8 -12.265 8.993 -8.418 1.00 0.00 N ATOM 39 CA ARG A 8 -11.278 9.924 -8.936 1.00 0.00 C ATOM 40 C ARG A 8 -9.959 9.778 -8.174 1.00 0.00 C ATOM 41 O ARG A 8 -9.172 8.875 -8.455 1.00 0.00 O ATOM 42 CB ARG A 8 -11.768 11.369 -8.820 1.00 0.00 C ATOM 43 CG ARG A 8 -12.627 11.558 -7.568 1.00 0.00 C ATOM 44 CD ARG A 8 -12.444 12.960 -6.984 1.00 0.00 C ATOM 45 NE ARG A 8 -13.203 13.085 -5.720 1.00 0.00 N ATOM 46 CZ ARG A 8 -13.231 14.193 -4.966 1.00 0.00 C ATOM 47 NH1 ARG A 8 -12.543 15.278 -5.346 1.00 0.00 N ATOM 48 NH2 ARG A 8 -13.946 14.215 -3.834 1.00 0.00 N ATOM 0 H ARG A 8 -13.124 9.427 -8.079 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.122 9.689 -9.989 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.913 12.045 -8.784 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.346 11.633 -9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.676 11.397 -7.815 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.357 10.811 -6.821 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.386 13.152 -6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.786 13.708 -7.699 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.739 12.277 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.999 15.260 -6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.564 16.122 -4.773 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.469 13.389 -3.545 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.967 15.058 -3.260 1.00 0.00 H new ATOM 62 N LEU A 9 -9.758 10.680 -7.224 1.00 0.00 N ATOM 63 CA LEU A 9 -8.548 10.663 -6.419 1.00 0.00 C ATOM 64 C LEU A 9 -8.242 9.224 -5.998 1.00 0.00 C ATOM 65 O LEU A 9 -7.095 8.784 -6.068 1.00 0.00 O ATOM 66 CB LEU A 9 -8.673 11.635 -5.244 1.00 0.00 C ATOM 67 CG LEU A 9 -9.160 11.033 -3.925 1.00 0.00 C ATOM 68 CD1 LEU A 9 -8.660 11.850 -2.732 1.00 0.00 C ATOM 69 CD2 LEU A 9 -10.682 10.883 -3.919 1.00 0.00 C ATOM 0 H LEU A 9 -10.413 11.427 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.696 11.013 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.699 12.095 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.357 12.434 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.738 10.033 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.020 11.401 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.570 11.861 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.033 12.871 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.001 10.453 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.145 11.862 -4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.986 10.228 -4.735 1.00 0.00 H new ATOM 81 N GLU A 10 -9.287 8.531 -5.570 1.00 0.00 N ATOM 82 CA GLU A 10 -9.144 7.152 -5.137 1.00 0.00 C ATOM 83 C GLU A 10 -8.274 6.373 -6.126 1.00 0.00 C ATOM 84 O GLU A 10 -7.172 5.945 -5.785 1.00 0.00 O ATOM 85 CB GLU A 10 -10.511 6.486 -4.967 1.00 0.00 C ATOM 86 CG GLU A 10 -10.791 6.177 -3.495 1.00 0.00 C ATOM 87 CD GLU A 10 -10.164 4.843 -3.085 1.00 0.00 C ATOM 88 OE1 GLU A 10 -10.221 3.911 -3.915 1.00 0.00 O ATOM 89 OE2 GLU A 10 -9.641 4.787 -1.951 1.00 0.00 O ATOM 0 H GLU A 10 -10.237 8.899 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.650 7.146 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.290 7.140 -5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.546 5.565 -5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.394 6.977 -2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.867 6.144 -3.325 1.00 0.00 H new ATOM 96 N ASN A 11 -8.801 6.213 -7.331 1.00 0.00 N ATOM 97 CA ASN A 11 -8.086 5.494 -8.371 1.00 0.00 C ATOM 98 C ASN A 11 -6.691 6.098 -8.537 1.00 0.00 C ATOM 99 O ASN A 11 -5.784 5.445 -9.050 1.00 0.00 O ATOM 100 CB ASN A 11 -8.811 5.603 -9.714 1.00 0.00 C ATOM 101 CG ASN A 11 -8.233 4.617 -10.731 1.00 0.00 C ATOM 102 OD1 ASN A 11 -7.478 4.974 -11.620 1.00 0.00 O ATOM 103 ND2 ASN A 11 -8.627 3.360 -10.551 1.00 0.00 N ATOM 0 H ASN A 11 -9.715 6.569 -7.610 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.027 4.446 -8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.874 5.406 -9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.723 6.620 -10.097 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.295 2.627 -11.178 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.261 3.129 -9.786 1.00 0.00 H new ATOM 110 N ASP A 12 -6.562 7.340 -8.092 1.00 0.00 N ATOM 111 CA ASP A 12 -5.292 8.040 -8.185 1.00 0.00 C ATOM 112 C ASP A 12 -4.322 7.467 -7.150 1.00 0.00 C ATOM 113 O ASP A 12 -3.163 7.198 -7.462 1.00 0.00 O ATOM 114 CB ASP A 12 -5.464 9.533 -7.896 1.00 0.00 C ATOM 115 CG ASP A 12 -4.645 10.463 -8.792 1.00 0.00 C ATOM 116 OD1 ASP A 12 -5.002 10.560 -9.986 1.00 0.00 O ATOM 117 OD2 ASP A 12 -3.680 11.056 -8.264 1.00 0.00 O ATOM 0 H ASP A 12 -7.316 7.879 -7.666 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.908 7.910 -9.197 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.518 9.789 -8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.191 9.721 -6.857 1.00 0.00 H new ATOM 122 N ILE A 13 -4.831 7.297 -5.938 1.00 0.00 N ATOM 123 CA ILE A 13 -4.024 6.761 -4.856 1.00 0.00 C ATOM 124 C ILE A 13 -3.740 5.281 -5.121 1.00 0.00 C ATOM 125 O ILE A 13 -2.627 4.809 -4.898 1.00 0.00 O ATOM 126 CB ILE A 13 -4.694 7.026 -3.506 1.00 0.00 C ATOM 127 CG1 ILE A 13 -4.921 8.523 -3.291 1.00 0.00 C ATOM 128 CG2 ILE A 13 -3.894 6.397 -2.364 1.00 0.00 C ATOM 129 CD1 ILE A 13 -6.380 8.901 -3.553 1.00 0.00 C ATOM 0 H ILE A 13 -5.793 7.521 -5.682 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.060 7.268 -4.813 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.674 6.550 -3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.650 8.792 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.270 9.092 -3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.392 6.600 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.829 5.320 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.891 6.822 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.513 9.971 -3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.641 8.653 -4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.027 8.349 -2.871 1.00 0.00 H new ATOM 141 N ILE A 14 -4.767 4.590 -5.595 1.00 0.00 N ATOM 142 CA ILE A 14 -4.642 3.174 -5.894 1.00 0.00 C ATOM 143 C ILE A 14 -3.617 2.981 -7.013 1.00 0.00 C ATOM 144 O ILE A 14 -2.659 2.225 -6.859 1.00 0.00 O ATOM 145 CB ILE A 14 -6.012 2.569 -6.204 1.00 0.00 C ATOM 146 CG1 ILE A 14 -6.799 2.304 -4.919 1.00 0.00 C ATOM 147 CG2 ILE A 14 -5.874 1.309 -7.062 1.00 0.00 C ATOM 148 CD1 ILE A 14 -7.399 3.598 -4.367 1.00 0.00 C ATOM 0 H ILE A 14 -5.689 4.985 -5.779 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.270 2.633 -5.024 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.581 3.294 -6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.595 1.586 -5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.143 1.856 -4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.863 0.899 -7.268 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.383 1.561 -8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.278 0.569 -6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.953 3.381 -3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.599 4.305 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.073 4.031 -5.106 1.00 0.00 H new ATOM 160 N ARG A 15 -3.852 3.680 -8.114 1.00 0.00 N ATOM 161 CA ARG A 15 -2.961 3.596 -9.259 1.00 0.00 C ATOM 162 C ARG A 15 -1.596 4.195 -8.914 1.00 0.00 C ATOM 163 O ARG A 15 -0.625 3.994 -9.641 1.00 0.00 O ATOM 164 CB ARG A 15 -3.544 4.333 -10.466 1.00 0.00 C ATOM 165 CG ARG A 15 -2.563 4.325 -11.640 1.00 0.00 C ATOM 166 CD ARG A 15 -3.195 4.945 -12.887 1.00 0.00 C ATOM 167 NE ARG A 15 -2.979 4.062 -14.056 1.00 0.00 N ATOM 168 CZ ARG A 15 -3.775 3.033 -14.377 1.00 0.00 C ATOM 169 NH1 ARG A 15 -4.843 2.750 -13.619 1.00 0.00 N ATOM 170 NH2 ARG A 15 -3.502 2.286 -15.456 1.00 0.00 N ATOM 0 H ARG A 15 -4.647 4.307 -8.237 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.845 2.542 -9.513 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.480 3.862 -10.767 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.778 5.361 -10.190 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.663 4.878 -11.371 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.255 3.302 -11.854 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.263 5.096 -12.727 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.759 5.926 -13.076 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.174 4.249 -14.654 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.050 3.318 -12.797 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.449 1.967 -13.864 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.688 2.501 -16.033 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.108 1.503 -15.701 1.00 0.00 H new ATOM 184 N LEU A 16 -1.566 4.918 -7.804 1.00 0.00 N ATOM 185 CA LEU A 16 -0.336 5.547 -7.354 1.00 0.00 C ATOM 186 C LEU A 16 0.663 4.466 -6.940 1.00 0.00 C ATOM 187 O LEU A 16 1.677 4.264 -7.607 1.00 0.00 O ATOM 188 CB LEU A 16 -0.629 6.568 -6.253 1.00 0.00 C ATOM 189 CG LEU A 16 -0.373 8.034 -6.612 1.00 0.00 C ATOM 190 CD1 LEU A 16 -0.675 8.950 -5.424 1.00 0.00 C ATOM 191 CD2 LEU A 16 1.049 8.229 -7.140 1.00 0.00 C ATOM 0 H LEU A 16 -2.374 5.082 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 16 0.123 6.111 -8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.673 6.464 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.024 6.317 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.055 8.313 -7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.485 9.986 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.720 8.838 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.035 8.679 -4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.204 9.279 -7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.765 7.926 -6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.192 7.621 -8.033 1.00 0.00 H new ATOM 203 N ILE A 17 0.343 3.798 -5.842 1.00 0.00 N ATOM 204 CA ILE A 17 1.200 2.742 -5.331 1.00 0.00 C ATOM 205 C ILE A 17 1.445 1.711 -6.435 1.00 0.00 C ATOM 206 O ILE A 17 2.480 1.046 -6.449 1.00 0.00 O ATOM 207 CB ILE A 17 0.610 2.145 -4.052 1.00 0.00 C ATOM 208 CG1 ILE A 17 1.252 2.766 -2.810 1.00 0.00 C ATOM 209 CG2 ILE A 17 0.727 0.619 -4.054 1.00 0.00 C ATOM 210 CD1 ILE A 17 2.776 2.647 -2.862 1.00 0.00 C ATOM 0 H ILE A 17 -0.499 3.968 -5.291 1.00 0.00 H new ATOM 0 HA ILE A 17 2.173 3.144 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.452 2.387 -4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.968 3.816 -2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.875 2.270 -1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.300 0.220 -3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.187 0.214 -4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.777 0.335 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.207 3.096 -1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.057 1.595 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.151 3.165 -3.745 1.00 0.00 H new ATOM 222 N ASN A 18 0.475 1.610 -7.332 1.00 0.00 N ATOM 223 CA ASN A 18 0.572 0.671 -8.437 1.00 0.00 C ATOM 224 C ASN A 18 1.682 1.123 -9.388 1.00 0.00 C ATOM 225 O ASN A 18 2.723 0.475 -9.485 1.00 0.00 O ATOM 226 CB ASN A 18 -0.735 0.615 -9.229 1.00 0.00 C ATOM 227 CG ASN A 18 -1.225 -0.826 -9.377 1.00 0.00 C ATOM 228 OD1 ASN A 18 -0.925 -1.697 -8.577 1.00 0.00 O ATOM 229 ND2 ASN A 18 -1.995 -1.029 -10.443 1.00 0.00 N ATOM 0 H ASN A 18 -0.382 2.163 -7.316 1.00 0.00 H new ATOM 0 HA ASN A 18 0.785 -0.315 -8.024 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.496 1.211 -8.725 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.586 1.055 -10.215 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.373 -1.958 -10.630 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.208 -0.256 -11.073 1.00 0.00 H new ATOM 236 N ARG A 19 1.422 2.232 -10.066 1.00 0.00 N ATOM 237 CA ARG A 19 2.386 2.777 -11.006 1.00 0.00 C ATOM 238 C ARG A 19 3.799 2.702 -10.422 1.00 0.00 C ATOM 239 O ARG A 19 4.779 2.663 -11.163 1.00 0.00 O ATOM 240 CB ARG A 19 2.060 4.233 -11.346 1.00 0.00 C ATOM 241 CG ARG A 19 2.047 4.452 -12.861 1.00 0.00 C ATOM 242 CD ARG A 19 3.406 4.953 -13.354 1.00 0.00 C ATOM 243 NE ARG A 19 3.361 6.418 -13.559 1.00 0.00 N ATOM 244 CZ ARG A 19 2.636 7.021 -14.511 1.00 0.00 C ATOM 245 NH1 ARG A 19 1.890 6.289 -15.350 1.00 0.00 N ATOM 246 NH2 ARG A 19 2.656 8.356 -14.623 1.00 0.00 N ATOM 0 H ARG A 19 0.558 2.767 -9.983 1.00 0.00 H new ATOM 0 HA ARG A 19 2.334 2.181 -11.917 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.089 4.499 -10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.797 4.892 -10.886 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.795 3.519 -13.365 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.273 5.174 -13.121 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.180 4.703 -12.629 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.670 4.455 -14.287 1.00 0.00 H new ATOM 0 HE ARG A 19 3.916 7.005 -12.937 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.874 5.273 -15.264 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.338 6.748 -16.075 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.223 8.913 -13.984 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.104 8.815 -15.348 1.00 0.00 H new ATOM 260 N THR A 20 3.857 2.683 -9.098 1.00 0.00 N ATOM 261 CA THR A 20 5.133 2.613 -8.406 1.00 0.00 C ATOM 262 C THR A 20 5.719 1.204 -8.511 1.00 0.00 C ATOM 263 O THR A 20 6.901 1.040 -8.811 1.00 0.00 O ATOM 264 CB THR A 20 4.914 3.075 -6.964 1.00 0.00 C ATOM 265 OG1 THR A 20 5.670 4.279 -6.867 1.00 0.00 O ATOM 266 CG2 THR A 20 5.569 2.140 -5.945 1.00 0.00 C ATOM 0 H THR A 20 3.041 2.715 -8.487 1.00 0.00 H new ATOM 0 HA THR A 20 5.870 3.272 -8.865 1.00 0.00 H new ATOM 0 HB THR A 20 3.845 3.141 -6.762 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.119 4.314 -5.996 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.384 2.513 -4.938 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.147 1.140 -6.045 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.643 2.100 -6.126 1.00 0.00 H new ATOM 274 N VAL A 21 4.866 0.222 -8.258 1.00 0.00 N ATOM 275 CA VAL A 21 5.285 -1.168 -8.320 1.00 0.00 C ATOM 276 C VAL A 21 5.500 -1.567 -9.781 1.00 0.00 C ATOM 277 O VAL A 21 6.291 -2.462 -10.075 1.00 0.00 O ATOM 278 CB VAL A 21 4.266 -2.054 -7.602 1.00 0.00 C ATOM 279 CG1 VAL A 21 4.689 -3.524 -7.646 1.00 0.00 C ATOM 280 CG2 VAL A 21 4.053 -1.588 -6.160 1.00 0.00 C ATOM 0 H VAL A 21 3.887 0.362 -8.010 1.00 0.00 H new ATOM 0 HA VAL A 21 6.235 -1.304 -7.803 1.00 0.00 H new ATOM 0 HB VAL A 21 3.315 -1.963 -8.127 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.947 -4.132 -7.128 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.765 -3.850 -8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.657 -3.639 -7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.324 -2.235 -5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.998 -1.634 -5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.685 -0.562 -6.160 1.00 0.00 H new ATOM 290 N ILE A 22 4.781 -0.883 -10.660 1.00 0.00 N ATOM 291 CA ILE A 22 4.883 -1.155 -12.083 1.00 0.00 C ATOM 292 C ILE A 22 6.139 -0.481 -12.638 1.00 0.00 C ATOM 293 O ILE A 22 6.863 -1.072 -13.438 1.00 0.00 O ATOM 294 CB ILE A 22 3.596 -0.742 -12.801 1.00 0.00 C ATOM 295 CG1 ILE A 22 3.748 0.636 -13.450 1.00 0.00 C ATOM 296 CG2 ILE A 22 2.397 -0.800 -11.853 1.00 0.00 C ATOM 297 CD1 ILE A 22 4.587 0.551 -14.726 1.00 0.00 C ATOM 0 H ILE A 22 4.126 -0.141 -10.413 1.00 0.00 H new ATOM 0 HA ILE A 22 4.990 -2.225 -12.259 1.00 0.00 H new ATOM 0 HB ILE A 22 3.408 -1.456 -13.603 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.764 1.042 -13.684 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.218 1.323 -12.747 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.495 -0.502 -12.388 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.278 -1.817 -11.479 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.562 -0.123 -11.015 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.680 1.543 -15.167 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.578 0.167 -14.485 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.102 -0.118 -15.437 1.00 0.00 H new ATOM 309 N HIS A 23 6.361 0.746 -12.191 1.00 0.00 N ATOM 310 CA HIS A 23 7.518 1.506 -12.633 1.00 0.00 C ATOM 311 C HIS A 23 8.662 1.327 -11.633 1.00 0.00 C ATOM 312 O HIS A 23 9.740 1.892 -11.811 1.00 0.00 O ATOM 313 CB HIS A 23 7.150 2.974 -12.856 1.00 0.00 C ATOM 314 CG HIS A 23 7.574 3.891 -11.734 1.00 0.00 C ATOM 315 ND1 HIS A 23 6.680 4.415 -10.816 1.00 0.00 N ATOM 316 CD2 HIS A 23 8.804 4.370 -11.390 1.00 0.00 C ATOM 317 CE1 HIS A 23 7.352 5.175 -9.964 1.00 0.00 C ATOM 318 NE2 HIS A 23 8.668 5.146 -10.322 1.00 0.00 N ATOM 0 H HIS A 23 5.759 1.233 -11.527 1.00 0.00 H new ATOM 0 HA HIS A 23 7.861 1.127 -13.596 1.00 0.00 H new ATOM 0 HB2 HIS A 23 7.609 3.316 -13.784 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.071 3.051 -12.987 1.00 0.00 H new ATOM 0 HD1 HIS A 23 5.674 4.245 -10.799 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.731 4.154 -11.900 1.00 0.00 H new ATOM 0 HE1 HIS A 23 6.932 5.721 -9.132 1.00 0.00 H new ATOM 327 N GLU A 24 8.388 0.538 -10.604 1.00 0.00 N ATOM 328 CA GLU A 24 9.381 0.278 -9.576 1.00 0.00 C ATOM 329 C GLU A 24 9.122 -1.081 -8.921 1.00 0.00 C ATOM 330 O GLU A 24 8.330 -1.876 -9.425 1.00 0.00 O ATOM 331 CB GLU A 24 9.396 1.396 -8.532 1.00 0.00 C ATOM 332 CG GLU A 24 10.813 1.935 -8.326 1.00 0.00 C ATOM 333 CD GLU A 24 11.400 2.449 -9.641 1.00 0.00 C ATOM 334 OE1 GLU A 24 11.167 3.640 -9.940 1.00 0.00 O ATOM 335 OE2 GLU A 24 12.070 1.640 -10.319 1.00 0.00 O ATOM 0 H GLU A 24 7.493 0.071 -10.461 1.00 0.00 H new ATOM 0 HA GLU A 24 10.364 0.252 -10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.738 2.205 -8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.005 1.021 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.796 2.740 -7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.450 1.148 -7.922 1.00 0.00 H new ATOM 342 N ILE A 25 9.806 -1.305 -7.808 1.00 0.00 N ATOM 343 CA ILE A 25 9.660 -2.553 -7.079 1.00 0.00 C ATOM 344 C ILE A 25 10.191 -3.704 -7.936 1.00 0.00 C ATOM 345 O ILE A 25 10.061 -4.870 -7.566 1.00 0.00 O ATOM 346 CB ILE A 25 8.212 -2.742 -6.625 1.00 0.00 C ATOM 347 CG1 ILE A 25 7.685 -1.483 -5.934 1.00 0.00 C ATOM 348 CG2 ILE A 25 8.072 -3.982 -5.739 1.00 0.00 C ATOM 349 CD1 ILE A 25 8.217 -1.378 -4.503 1.00 0.00 C ATOM 0 H ILE A 25 10.462 -0.643 -7.394 1.00 0.00 H new ATOM 0 HA ILE A 25 10.256 -2.533 -6.166 1.00 0.00 H new ATOM 0 HB ILE A 25 7.596 -2.906 -7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.982 -0.601 -6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.595 -1.501 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.033 -4.093 -5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.381 -4.865 -6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.703 -3.872 -4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.827 -0.474 -4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.898 -2.249 -3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.306 -1.336 -4.522 1.00 0.00 H new ATOM 361 N TYR A 26 10.778 -3.337 -9.066 1.00 0.00 N ATOM 362 CA TYR A 26 11.329 -4.324 -9.979 1.00 0.00 C ATOM 363 C TYR A 26 10.545 -5.636 -9.906 1.00 0.00 C ATOM 364 O TYR A 26 11.126 -6.700 -9.702 1.00 0.00 O ATOM 365 CB TYR A 26 12.764 -4.575 -9.512 1.00 0.00 C ATOM 366 CG TYR A 26 13.725 -3.421 -9.805 1.00 0.00 C ATOM 367 CD1 TYR A 26 13.848 -2.935 -11.091 1.00 0.00 C ATOM 368 CD2 TYR A 26 14.469 -2.867 -8.784 1.00 0.00 C ATOM 369 CE1 TYR A 26 14.752 -1.849 -11.367 1.00 0.00 C ATOM 370 CE2 TYR A 26 15.374 -1.781 -9.060 1.00 0.00 C ATOM 371 CZ TYR A 26 15.470 -1.325 -10.338 1.00 0.00 C ATOM 372 OH TYR A 26 16.324 -0.299 -10.598 1.00 0.00 O ATOM 0 H TYR A 26 10.884 -2.369 -9.370 1.00 0.00 H new ATOM 0 HA TYR A 26 11.280 -3.965 -11.007 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.758 -4.765 -8.439 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.139 -5.478 -9.994 1.00 0.00 H new ATOM 0 HD1 TYR A 26 13.266 -3.369 -11.890 1.00 0.00 H new ATOM 0 HD2 TYR A 26 14.373 -3.248 -7.778 1.00 0.00 H new ATOM 0 HE1 TYR A 26 14.857 -1.459 -12.369 1.00 0.00 H new ATOM 0 HE2 TYR A 26 15.963 -1.339 -8.270 1.00 0.00 H new ATOM 0 HH TYR A 26 16.768 -0.025 -9.769 1.00 0.00 H new ATOM 382 N ASN A 27 9.236 -5.516 -10.077 1.00 0.00 N ATOM 383 CA ASN A 27 8.366 -6.679 -10.033 1.00 0.00 C ATOM 384 C ASN A 27 8.863 -7.642 -8.953 1.00 0.00 C ATOM 385 O ASN A 27 9.019 -8.836 -9.205 1.00 0.00 O ATOM 386 CB ASN A 27 8.374 -7.423 -11.370 1.00 0.00 C ATOM 387 CG ASN A 27 7.077 -8.209 -11.568 1.00 0.00 C ATOM 388 OD1 ASN A 27 6.470 -8.701 -10.631 1.00 0.00 O ATOM 389 ND2 ASN A 27 6.687 -8.300 -12.836 1.00 0.00 N ATOM 0 H ASN A 27 8.757 -4.631 -10.246 1.00 0.00 H new ATOM 0 HA ASN A 27 7.354 -6.336 -9.817 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.500 -6.711 -12.186 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.225 -8.103 -11.407 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.833 -8.805 -13.072 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.242 -7.865 -13.573 1.00 0.00 H new ATOM 396 N GLU A 28 9.098 -7.087 -7.773 1.00 0.00 N ATOM 397 CA GLU A 28 9.574 -7.882 -6.654 1.00 0.00 C ATOM 398 C GLU A 28 8.567 -8.984 -6.319 1.00 0.00 C ATOM 399 O GLU A 28 8.809 -10.157 -6.600 1.00 0.00 O ATOM 400 CB GLU A 28 9.848 -7.001 -5.433 1.00 0.00 C ATOM 401 CG GLU A 28 11.257 -7.242 -4.888 1.00 0.00 C ATOM 402 CD GLU A 28 11.432 -6.591 -3.514 1.00 0.00 C ATOM 403 OE1 GLU A 28 11.179 -5.370 -3.429 1.00 0.00 O ATOM 404 OE2 GLU A 28 11.815 -7.329 -2.581 1.00 0.00 O ATOM 0 H GLU A 28 8.968 -6.096 -7.568 1.00 0.00 H new ATOM 0 HA GLU A 28 10.515 -8.351 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.734 -5.952 -5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.113 -7.211 -4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.444 -8.313 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.994 -6.838 -5.582 1.00 0.00 H new ATOM 411 N THR A 29 7.458 -8.568 -5.724 1.00 0.00 N ATOM 412 CA THR A 29 6.414 -9.506 -5.349 1.00 0.00 C ATOM 413 C THR A 29 5.129 -8.757 -4.987 1.00 0.00 C ATOM 414 O THR A 29 4.040 -9.150 -5.401 1.00 0.00 O ATOM 415 CB THR A 29 6.948 -10.379 -4.212 1.00 0.00 C ATOM 416 OG1 THR A 29 6.740 -11.712 -4.670 1.00 0.00 O ATOM 417 CG2 THR A 29 6.093 -10.281 -2.947 1.00 0.00 C ATOM 0 H THR A 29 7.260 -7.594 -5.493 1.00 0.00 H new ATOM 0 HA THR A 29 6.150 -10.158 -6.182 1.00 0.00 H new ATOM 0 HB THR A 29 7.972 -10.087 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.060 -12.344 -3.993 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.516 -10.920 -2.172 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.077 -9.249 -2.598 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.076 -10.605 -3.169 1.00 0.00 H new ATOM 425 N VAL A 30 5.300 -7.691 -4.219 1.00 0.00 N ATOM 426 CA VAL A 30 4.168 -6.883 -3.798 1.00 0.00 C ATOM 427 C VAL A 30 3.211 -6.699 -4.977 1.00 0.00 C ATOM 428 O VAL A 30 2.014 -6.492 -4.783 1.00 0.00 O ATOM 429 CB VAL A 30 4.660 -5.557 -3.215 1.00 0.00 C ATOM 430 CG1 VAL A 30 5.772 -5.787 -2.189 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.125 -4.609 -4.323 1.00 0.00 C ATOM 0 H VAL A 30 6.205 -7.368 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 30 3.614 -7.386 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 30 3.822 -5.087 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.103 -4.828 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.394 -6.407 -1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.611 -6.290 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.470 -3.674 -3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.942 -5.071 -4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.295 -4.406 -5.000 1.00 0.00 H new ATOM 441 N LYS A 31 3.774 -6.781 -6.174 1.00 0.00 N ATOM 442 CA LYS A 31 2.986 -6.626 -7.384 1.00 0.00 C ATOM 443 C LYS A 31 1.803 -7.596 -7.345 1.00 0.00 C ATOM 444 O LYS A 31 0.828 -7.422 -8.074 1.00 0.00 O ATOM 445 CB LYS A 31 3.869 -6.784 -8.623 1.00 0.00 C ATOM 446 CG LYS A 31 3.225 -6.123 -9.843 1.00 0.00 C ATOM 447 CD LYS A 31 4.074 -6.342 -11.097 1.00 0.00 C ATOM 448 CE LYS A 31 3.463 -7.424 -11.991 1.00 0.00 C ATOM 449 NZ LYS A 31 2.178 -6.961 -12.561 1.00 0.00 N ATOM 0 H LYS A 31 4.767 -6.953 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 31 2.572 -5.619 -7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.846 -6.338 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.035 -7.843 -8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.227 -6.533 -9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.106 -5.055 -9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.155 -5.408 -11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.085 -6.631 -10.810 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.155 -7.673 -12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.304 -8.335 -11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.004 -7.446 -13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.406 -7.177 -11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.219 -5.934 -12.722 1.00 0.00 H new ATOM 463 N THR A 32 1.929 -8.598 -6.486 1.00 0.00 N ATOM 464 CA THR A 32 0.882 -9.596 -6.342 1.00 0.00 C ATOM 465 C THR A 32 -0.180 -9.115 -5.352 1.00 0.00 C ATOM 466 O THR A 32 -1.364 -9.408 -5.515 1.00 0.00 O ATOM 467 CB THR A 32 1.541 -10.915 -5.934 1.00 0.00 C ATOM 468 OG1 THR A 32 0.442 -11.789 -5.688 1.00 0.00 O ATOM 469 CG2 THR A 32 2.253 -10.822 -4.583 1.00 0.00 C ATOM 0 H THR A 32 2.740 -8.740 -5.883 1.00 0.00 H new ATOM 0 HA THR A 32 0.355 -9.756 -7.283 1.00 0.00 H new ATOM 0 HB THR A 32 2.256 -11.216 -6.700 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.329 -12.395 -6.450 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.703 -11.785 -4.342 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.031 -10.060 -4.633 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.533 -10.554 -3.810 1.00 0.00 H new ATOM 477 N GLY A 33 0.281 -8.386 -4.346 1.00 0.00 N ATOM 478 CA GLY A 33 -0.616 -7.862 -3.330 1.00 0.00 C ATOM 479 C GLY A 33 -2.010 -7.607 -3.906 1.00 0.00 C ATOM 480 O GLY A 33 -2.915 -8.421 -3.735 1.00 0.00 O ATOM 0 H GLY A 33 1.263 -8.146 -4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.685 -8.567 -2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.211 -6.934 -2.926 1.00 0.00 H new ATOM 484 N HIS A 34 -2.138 -6.472 -4.578 1.00 0.00 N ATOM 485 CA HIS A 34 -3.407 -6.099 -5.181 1.00 0.00 C ATOM 486 C HIS A 34 -4.256 -5.339 -4.161 1.00 0.00 C ATOM 487 O HIS A 34 -5.035 -4.460 -4.527 1.00 0.00 O ATOM 488 CB HIS A 34 -4.120 -7.327 -5.749 1.00 0.00 C ATOM 489 CG HIS A 34 -5.093 -7.013 -6.860 1.00 0.00 C ATOM 490 ND1 HIS A 34 -5.697 -7.994 -7.627 1.00 0.00 N ATOM 491 CD2 HIS A 34 -5.560 -5.819 -7.325 1.00 0.00 C ATOM 492 CE1 HIS A 34 -6.490 -7.405 -8.511 1.00 0.00 C ATOM 493 NE2 HIS A 34 -6.403 -6.057 -8.322 1.00 0.00 N ATOM 0 H HIS A 34 -1.385 -5.799 -4.718 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.231 -5.431 -6.024 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.373 -8.028 -6.121 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.655 -7.829 -4.943 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.290 -4.845 -6.946 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.098 -7.905 -9.251 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.903 -5.348 -8.859 1.00 0.00 H new ATOM 502 N VAL A 35 -4.078 -5.705 -2.900 1.00 0.00 N ATOM 503 CA VAL A 35 -4.818 -5.069 -1.824 1.00 0.00 C ATOM 504 C VAL A 35 -6.298 -5.440 -1.940 1.00 0.00 C ATOM 505 O VAL A 35 -6.866 -6.035 -1.026 1.00 0.00 O ATOM 506 CB VAL A 35 -4.577 -3.558 -1.844 1.00 0.00 C ATOM 507 CG1 VAL A 35 -5.267 -2.877 -0.661 1.00 0.00 C ATOM 508 CG2 VAL A 35 -3.080 -3.242 -1.863 1.00 0.00 C ATOM 0 H VAL A 35 -3.431 -6.435 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.468 -5.427 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.014 -3.161 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.080 -1.804 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.340 -3.060 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.873 -3.281 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.936 -2.162 -1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.609 -3.659 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.627 -3.680 -2.752 1.00 0.00 H new ATOM 518 N THR A 36 -6.880 -5.072 -3.072 1.00 0.00 N ATOM 519 CA THR A 36 -8.283 -5.359 -3.320 1.00 0.00 C ATOM 520 C THR A 36 -9.159 -4.698 -2.253 1.00 0.00 C ATOM 521 O THR A 36 -10.269 -5.155 -1.986 1.00 0.00 O ATOM 522 CB THR A 36 -8.450 -6.878 -3.388 1.00 0.00 C ATOM 523 OG1 THR A 36 -9.702 -7.060 -4.044 1.00 0.00 O ATOM 524 CG2 THR A 36 -8.658 -7.507 -2.009 1.00 0.00 C ATOM 0 H THR A 36 -6.406 -4.578 -3.828 1.00 0.00 H new ATOM 0 HA THR A 36 -8.611 -4.939 -4.271 1.00 0.00 H new ATOM 0 HB THR A 36 -7.571 -7.319 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.388 -6.523 -3.595 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.771 -8.586 -2.115 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.796 -7.292 -1.377 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.556 -7.091 -1.551 1.00 0.00 H new ATOM 532 N HIS A 37 -8.626 -3.633 -1.672 1.00 0.00 N ATOM 533 CA HIS A 37 -9.345 -2.906 -0.640 1.00 0.00 C ATOM 534 C HIS A 37 -8.840 -1.462 -0.584 1.00 0.00 C ATOM 535 O HIS A 37 -9.414 -0.575 -1.214 1.00 0.00 O ATOM 536 CB HIS A 37 -9.237 -3.624 0.707 1.00 0.00 C ATOM 537 CG HIS A 37 -10.565 -4.066 1.274 1.00 0.00 C ATOM 538 ND1 HIS A 37 -10.891 -3.930 2.612 1.00 0.00 N ATOM 539 CD2 HIS A 37 -11.645 -4.641 0.671 1.00 0.00 C ATOM 540 CE1 HIS A 37 -12.114 -4.406 2.795 1.00 0.00 C ATOM 541 NE2 HIS A 37 -12.579 -4.847 1.591 1.00 0.00 N ATOM 0 H HIS A 37 -7.705 -3.256 -1.896 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.407 -2.875 -0.885 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -8.594 -4.497 0.592 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -8.750 -2.961 1.423 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -11.726 -4.887 -0.377 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -12.649 -4.439 3.733 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -13.494 -5.266 1.425 1.00 0.00 H new ATOM 550 N VAL A 38 -7.772 -1.272 0.176 1.00 0.00 N ATOM 551 CA VAL A 38 -7.183 0.048 0.323 1.00 0.00 C ATOM 552 C VAL A 38 -8.220 1.001 0.921 1.00 0.00 C ATOM 553 O VAL A 38 -9.360 1.052 0.461 1.00 0.00 O ATOM 554 CB VAL A 38 -6.635 0.530 -1.022 1.00 0.00 C ATOM 555 CG1 VAL A 38 -7.138 1.938 -1.347 1.00 0.00 C ATOM 556 CG2 VAL A 38 -5.106 0.475 -1.043 1.00 0.00 C ATOM 0 H VAL A 38 -7.299 -2.010 0.697 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.338 0.014 1.010 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.005 -0.144 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.734 2.256 -2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.227 1.933 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.812 2.629 -0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.743 0.823 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.708 1.114 -0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.777 -0.551 -0.879 1.00 0.00 H new ATOM 566 N LYS A 39 -7.788 1.732 1.938 1.00 0.00 N ATOM 567 CA LYS A 39 -8.666 2.680 2.604 1.00 0.00 C ATOM 568 C LYS A 39 -7.844 3.877 3.086 1.00 0.00 C ATOM 569 O LYS A 39 -7.202 3.812 4.134 1.00 0.00 O ATOM 570 CB LYS A 39 -9.456 1.988 3.717 1.00 0.00 C ATOM 571 CG LYS A 39 -10.179 3.012 4.594 1.00 0.00 C ATOM 572 CD LYS A 39 -11.389 3.600 3.865 1.00 0.00 C ATOM 573 CE LYS A 39 -11.121 5.043 3.432 1.00 0.00 C ATOM 574 NZ LYS A 39 -12.277 5.582 2.681 1.00 0.00 N ATOM 0 H LYS A 39 -6.842 1.687 2.317 1.00 0.00 H new ATOM 0 HA LYS A 39 -9.411 3.064 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -10.181 1.301 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.781 1.391 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.503 2.538 5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.491 3.812 4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.622 2.992 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.262 3.569 4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.928 5.662 4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.226 5.082 2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.079 6.562 2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.443 5.001 1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.123 5.563 3.285 1.00 0.00 H new ATOM 588 N LEU A 40 -7.890 4.941 2.299 1.00 0.00 N ATOM 589 CA LEU A 40 -7.158 6.151 2.633 1.00 0.00 C ATOM 590 C LEU A 40 -8.006 7.014 3.569 1.00 0.00 C ATOM 591 O LEU A 40 -9.193 7.221 3.322 1.00 0.00 O ATOM 592 CB LEU A 40 -6.714 6.877 1.361 1.00 0.00 C ATOM 593 CG LEU A 40 -5.309 7.482 1.390 1.00 0.00 C ATOM 594 CD1 LEU A 40 -5.243 8.756 0.544 1.00 0.00 C ATOM 595 CD2 LEU A 40 -4.846 7.724 2.828 1.00 0.00 C ATOM 0 H LEU A 40 -8.423 4.991 1.431 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.241 5.905 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.769 6.176 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.427 7.675 1.154 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.619 6.765 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.234 9.166 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.501 8.521 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.947 9.490 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.845 8.154 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.533 8.412 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.830 6.778 3.369 1.00 0.00 H new ATOM 607 N SER A 41 -7.364 7.494 4.624 1.00 0.00 N ATOM 608 CA SER A 41 -8.045 8.330 5.598 1.00 0.00 C ATOM 609 C SER A 41 -7.050 9.295 6.246 1.00 0.00 C ATOM 610 O SER A 41 -5.864 9.280 5.921 1.00 0.00 O ATOM 611 CB SER A 41 -8.733 7.480 6.668 1.00 0.00 C ATOM 612 OG SER A 41 -7.928 7.337 7.835 1.00 0.00 O ATOM 0 H SER A 41 -6.379 7.320 4.826 1.00 0.00 H new ATOM 0 HA SER A 41 -8.813 8.904 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.685 7.938 6.938 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.957 6.495 6.259 1.00 0.00 H new ATOM 0 HG SER A 41 -8.403 6.790 8.495 1.00 0.00 H new ATOM 618 N ASP A 42 -7.570 10.111 7.151 1.00 0.00 N ATOM 619 CA ASP A 42 -6.742 11.082 7.847 1.00 0.00 C ATOM 620 C ASP A 42 -6.181 12.085 6.837 1.00 0.00 C ATOM 621 O ASP A 42 -5.090 12.619 7.028 1.00 0.00 O ATOM 622 CB ASP A 42 -5.562 10.401 8.542 1.00 0.00 C ATOM 623 CG ASP A 42 -5.933 9.534 9.747 1.00 0.00 C ATOM 624 OD1 ASP A 42 -6.020 10.108 10.854 1.00 0.00 O ATOM 625 OD2 ASP A 42 -6.122 8.317 9.533 1.00 0.00 O ATOM 0 H ASP A 42 -8.554 10.120 7.419 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.361 11.581 8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.040 9.780 7.814 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.860 11.168 8.868 1.00 0.00 H new ATOM 630 N ASP A 43 -6.953 12.311 5.784 1.00 0.00 N ATOM 631 CA ASP A 43 -6.547 13.241 4.744 1.00 0.00 C ATOM 632 C ASP A 43 -5.256 12.740 4.094 1.00 0.00 C ATOM 633 O ASP A 43 -4.184 13.296 4.325 1.00 0.00 O ATOM 634 CB ASP A 43 -6.276 14.631 5.323 1.00 0.00 C ATOM 635 CG ASP A 43 -7.459 15.599 5.260 1.00 0.00 C ATOM 636 OD1 ASP A 43 -7.847 15.949 4.125 1.00 0.00 O ATOM 637 OD2 ASP A 43 -7.949 15.968 6.350 1.00 0.00 O ATOM 0 H ASP A 43 -7.858 11.866 5.629 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.355 13.305 4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.970 14.521 6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.435 15.073 4.789 1.00 0.00 H new ATOM 642 N LEU A 44 -5.402 11.694 3.293 1.00 0.00 N ATOM 643 CA LEU A 44 -4.260 11.112 2.608 1.00 0.00 C ATOM 644 C LEU A 44 -3.040 11.156 3.530 1.00 0.00 C ATOM 645 O LEU A 44 -1.976 11.630 3.135 1.00 0.00 O ATOM 646 CB LEU A 44 -4.037 11.800 1.259 1.00 0.00 C ATOM 647 CG LEU A 44 -4.131 13.327 1.261 1.00 0.00 C ATOM 648 CD1 LEU A 44 -2.830 13.955 1.765 1.00 0.00 C ATOM 649 CD2 LEU A 44 -4.525 13.854 -0.120 1.00 0.00 C ATOM 0 H LEU A 44 -6.293 11.235 3.103 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.448 10.063 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.052 11.517 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.768 11.412 0.550 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.920 13.620 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.923 15.041 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.632 13.616 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.007 13.656 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.585 14.942 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.776 13.551 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.495 13.445 -0.402 1.00 0.00 H new ATOM 661 N LEU A 45 -3.235 10.655 4.741 1.00 0.00 N ATOM 662 CA LEU A 45 -2.164 10.631 5.722 1.00 0.00 C ATOM 663 C LEU A 45 -1.698 9.189 5.926 1.00 0.00 C ATOM 664 O LEU A 45 -0.519 8.944 6.182 1.00 0.00 O ATOM 665 CB LEU A 45 -2.605 11.324 7.014 1.00 0.00 C ATOM 666 CG LEU A 45 -2.485 12.849 7.031 1.00 0.00 C ATOM 667 CD1 LEU A 45 -2.941 13.419 8.376 1.00 0.00 C ATOM 668 CD2 LEU A 45 -1.065 13.291 6.673 1.00 0.00 C ATOM 0 H LEU A 45 -4.119 10.263 5.065 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.304 11.196 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.644 11.059 7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.014 10.924 7.838 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.150 13.253 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.846 14.505 8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.982 13.148 8.552 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.320 13.011 9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.007 14.379 6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.362 12.877 7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.813 12.932 5.675 1.00 0.00 H new ATOM 680 N HIS A 46 -2.646 8.271 5.807 1.00 0.00 N ATOM 681 CA HIS A 46 -2.347 6.859 5.975 1.00 0.00 C ATOM 682 C HIS A 46 -3.339 6.024 5.164 1.00 0.00 C ATOM 683 O HIS A 46 -4.545 6.085 5.399 1.00 0.00 O ATOM 684 CB HIS A 46 -2.326 6.481 7.457 1.00 0.00 C ATOM 685 CG HIS A 46 -1.786 7.565 8.360 1.00 0.00 C ATOM 686 ND1 HIS A 46 -0.502 7.540 8.876 1.00 0.00 N ATOM 687 CD2 HIS A 46 -2.370 8.704 8.832 1.00 0.00 C ATOM 688 CE1 HIS A 46 -0.331 8.620 9.624 1.00 0.00 C ATOM 689 NE2 HIS A 46 -1.490 9.340 9.596 1.00 0.00 N ATOM 0 H HIS A 46 -3.622 8.478 5.596 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.349 6.647 5.592 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.339 6.231 7.772 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.722 5.582 7.584 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.377 9.032 8.620 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.568 8.884 10.162 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.653 10.222 10.082 1.00 0.00 H new ATOM 698 N VAL A 47 -2.795 5.263 4.225 1.00 0.00 N ATOM 699 CA VAL A 47 -3.618 4.417 3.378 1.00 0.00 C ATOM 700 C VAL A 47 -3.585 2.983 3.911 1.00 0.00 C ATOM 701 O VAL A 47 -2.533 2.346 3.924 1.00 0.00 O ATOM 702 CB VAL A 47 -3.155 4.524 1.924 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.119 3.447 1.597 1.00 0.00 C ATOM 704 CG2 VAL A 47 -4.343 4.451 0.963 1.00 0.00 C ATOM 0 H VAL A 47 -1.794 5.215 4.032 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.656 4.749 3.400 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.679 5.496 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.807 3.546 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.253 3.565 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.558 2.461 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.986 4.530 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.860 3.501 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.031 5.271 1.172 1.00 0.00 H new ATOM 714 N THR A 48 -4.750 2.518 4.339 1.00 0.00 N ATOM 715 CA THR A 48 -4.868 1.171 4.872 1.00 0.00 C ATOM 716 C THR A 48 -4.924 0.150 3.733 1.00 0.00 C ATOM 717 O THR A 48 -6.000 -0.152 3.219 1.00 0.00 O ATOM 718 CB THR A 48 -6.093 1.130 5.786 1.00 0.00 C ATOM 719 OG1 THR A 48 -5.975 2.309 6.579 1.00 0.00 O ATOM 720 CG2 THR A 48 -6.028 -0.011 6.803 1.00 0.00 C ATOM 0 H THR A 48 -5.620 3.050 4.327 1.00 0.00 H new ATOM 0 HA THR A 48 -3.994 0.902 5.465 1.00 0.00 H new ATOM 0 HB THR A 48 -6.993 1.025 5.180 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.731 2.363 7.200 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.922 0.006 7.426 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.970 -0.964 6.277 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.145 0.111 7.431 1.00 0.00 H new ATOM 728 N VAL A 49 -3.753 -0.353 3.374 1.00 0.00 N ATOM 729 CA VAL A 49 -3.655 -1.333 2.306 1.00 0.00 C ATOM 730 C VAL A 49 -3.845 -2.736 2.888 1.00 0.00 C ATOM 731 O VAL A 49 -3.087 -3.157 3.761 1.00 0.00 O ATOM 732 CB VAL A 49 -2.328 -1.169 1.564 1.00 0.00 C ATOM 733 CG1 VAL A 49 -2.261 0.185 0.854 1.00 0.00 C ATOM 734 CG2 VAL A 49 -1.142 -1.349 2.514 1.00 0.00 C ATOM 0 H VAL A 49 -2.863 -0.100 3.804 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.444 -1.176 1.571 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.270 -1.949 0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.307 0.276 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.076 0.259 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.352 0.986 1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.211 -1.227 1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.194 -0.602 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.176 -2.346 2.953 1.00 0.00 H new ATOM 744 N TYR A 50 -4.860 -3.420 2.382 1.00 0.00 N ATOM 745 CA TYR A 50 -5.158 -4.766 2.841 1.00 0.00 C ATOM 746 C TYR A 50 -4.598 -5.811 1.875 1.00 0.00 C ATOM 747 O TYR A 50 -5.355 -6.547 1.242 1.00 0.00 O ATOM 748 CB TYR A 50 -6.684 -4.875 2.863 1.00 0.00 C ATOM 749 CG TYR A 50 -7.360 -3.940 3.867 1.00 0.00 C ATOM 750 CD1 TYR A 50 -7.260 -2.572 3.712 1.00 0.00 C ATOM 751 CD2 TYR A 50 -8.071 -4.464 4.928 1.00 0.00 C ATOM 752 CE1 TYR A 50 -7.897 -1.692 4.657 1.00 0.00 C ATOM 753 CE2 TYR A 50 -8.707 -3.583 5.873 1.00 0.00 C ATOM 754 CZ TYR A 50 -8.589 -2.241 5.691 1.00 0.00 C ATOM 755 OH TYR A 50 -9.190 -1.409 6.583 1.00 0.00 O ATOM 0 H TYR A 50 -5.487 -3.067 1.659 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.711 -4.946 3.819 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.068 -4.659 1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.961 -5.903 3.096 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.704 -2.162 2.882 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -8.150 -5.534 5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.827 -0.620 4.547 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.265 -3.980 6.708 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.649 -1.940 7.267 1.00 0.00 H new ATOM 765 N LEU A 51 -3.276 -5.845 1.790 1.00 0.00 N ATOM 766 CA LEU A 51 -2.605 -6.788 0.912 1.00 0.00 C ATOM 767 C LEU A 51 -3.362 -8.118 0.926 1.00 0.00 C ATOM 768 O LEU A 51 -3.548 -8.719 1.984 1.00 0.00 O ATOM 769 CB LEU A 51 -1.129 -6.916 1.291 1.00 0.00 C ATOM 770 CG LEU A 51 -0.330 -5.612 1.328 1.00 0.00 C ATOM 771 CD1 LEU A 51 1.118 -5.867 1.751 1.00 0.00 C ATOM 772 CD2 LEU A 51 -0.415 -4.878 -0.012 1.00 0.00 C ATOM 0 H LEU A 51 -2.651 -5.234 2.316 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.615 -6.426 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.066 -7.385 2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.650 -7.592 0.583 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.775 -4.961 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.663 -4.923 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.133 -6.314 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.590 -6.546 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.162 -3.955 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.011 -5.513 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.456 -4.643 -0.233 1.00 0.00 H new ATOM 784 N ASP A 52 -3.777 -8.539 -0.259 1.00 0.00 N ATOM 785 CA ASP A 52 -4.509 -9.787 -0.396 1.00 0.00 C ATOM 786 C ASP A 52 -3.741 -10.723 -1.332 1.00 0.00 C ATOM 787 O ASP A 52 -4.137 -11.871 -1.529 1.00 0.00 O ATOM 788 CB ASP A 52 -5.895 -9.549 -0.998 1.00 0.00 C ATOM 789 CG ASP A 52 -6.840 -10.750 -0.939 1.00 0.00 C ATOM 790 OD1 ASP A 52 -7.059 -11.245 0.188 1.00 0.00 O ATOM 791 OD2 ASP A 52 -7.323 -11.147 -2.022 1.00 0.00 O ATOM 0 H ASP A 52 -3.620 -8.038 -1.134 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.617 -10.226 0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.362 -8.713 -0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.776 -9.250 -2.039 1.00 0.00 H new ATOM 796 N CYS A 53 -2.656 -10.199 -1.883 1.00 0.00 N ATOM 797 CA CYS A 53 -1.830 -10.973 -2.793 1.00 0.00 C ATOM 798 C CYS A 53 -2.708 -12.038 -3.451 1.00 0.00 C ATOM 799 O CYS A 53 -3.807 -11.741 -3.917 1.00 0.00 O ATOM 800 CB CYS A 53 -0.625 -11.589 -2.078 1.00 0.00 C ATOM 801 SG CYS A 53 -1.182 -12.528 -0.609 1.00 0.00 S ATOM 0 H CYS A 53 -2.330 -9.247 -1.716 1.00 0.00 H new ATOM 0 HA CYS A 53 -1.418 -10.318 -3.561 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.086 -12.248 -2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.070 -10.805 -1.777 1.00 0.00 H new ATOM 0 HG CYS A 53 -1.778 -13.618 -0.991 1.00 0.00 H new ATOM 807 N TYR A 54 -2.192 -13.258 -3.468 1.00 0.00 N ATOM 808 CA TYR A 54 -2.916 -14.369 -4.062 1.00 0.00 C ATOM 809 C TYR A 54 -3.826 -15.043 -3.033 1.00 0.00 C ATOM 810 O TYR A 54 -3.886 -16.269 -2.961 1.00 0.00 O ATOM 811 CB TYR A 54 -1.852 -15.371 -4.517 1.00 0.00 C ATOM 812 CG TYR A 54 -1.454 -15.231 -5.988 1.00 0.00 C ATOM 813 CD1 TYR A 54 -1.219 -13.981 -6.523 1.00 0.00 C ATOM 814 CD2 TYR A 54 -1.330 -16.355 -6.779 1.00 0.00 C ATOM 815 CE1 TYR A 54 -0.845 -13.849 -7.907 1.00 0.00 C ATOM 816 CE2 TYR A 54 -0.955 -16.223 -8.163 1.00 0.00 C ATOM 817 CZ TYR A 54 -0.731 -14.977 -8.659 1.00 0.00 C ATOM 818 OH TYR A 54 -0.377 -14.852 -9.966 1.00 0.00 O ATOM 0 H TYR A 54 -1.281 -13.502 -3.080 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.543 -14.023 -4.883 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.964 -15.248 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.223 -16.382 -4.346 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.316 -13.102 -5.904 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.514 -17.333 -6.360 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.659 -12.877 -8.338 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.854 -17.094 -8.793 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.333 -15.739 -10.379 1.00 0.00 H new ATOM 828 N ASN A 55 -4.512 -14.211 -2.263 1.00 0.00 N ATOM 829 CA ASN A 55 -5.416 -14.710 -1.242 1.00 0.00 C ATOM 830 C ASN A 55 -4.636 -14.947 0.053 1.00 0.00 C ATOM 831 O ASN A 55 -4.879 -15.925 0.758 1.00 0.00 O ATOM 832 CB ASN A 55 -6.045 -16.040 -1.665 1.00 0.00 C ATOM 833 CG ASN A 55 -7.465 -16.176 -1.112 1.00 0.00 C ATOM 834 OD1 ASN A 55 -7.874 -15.475 -0.200 1.00 0.00 O ATOM 835 ND2 ASN A 55 -8.191 -17.114 -1.711 1.00 0.00 N ATOM 0 H ASN A 55 -4.460 -13.194 -2.326 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.202 -13.969 -1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.067 -16.106 -2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.431 -16.867 -1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.152 -17.283 -1.414 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.787 -17.665 -2.468 1.00 0.00 H new ATOM 842 N ARG A 56 -3.715 -14.035 0.326 1.00 0.00 N ATOM 843 CA ARG A 56 -2.897 -14.133 1.523 1.00 0.00 C ATOM 844 C ARG A 56 -1.978 -15.353 1.441 1.00 0.00 C ATOM 845 O ARG A 56 -1.285 -15.679 2.403 1.00 0.00 O ATOM 846 CB ARG A 56 -3.768 -14.242 2.777 1.00 0.00 C ATOM 847 CG ARG A 56 -3.718 -12.948 3.593 1.00 0.00 C ATOM 848 CD ARG A 56 -4.771 -11.951 3.104 1.00 0.00 C ATOM 849 NE ARG A 56 -5.461 -11.337 4.260 1.00 0.00 N ATOM 850 CZ ARG A 56 -6.345 -11.980 5.036 1.00 0.00 C ATOM 851 NH1 ARG A 56 -6.651 -13.260 4.784 1.00 0.00 N ATOM 852 NH2 ARG A 56 -6.922 -11.342 6.064 1.00 0.00 N ATOM 0 H ARG A 56 -3.517 -13.225 -0.261 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.296 -13.226 1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.798 -14.457 2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.427 -15.076 3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.885 -13.172 4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.726 -12.503 3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.298 -11.177 2.499 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.494 -12.457 2.465 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.251 -10.363 4.480 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.211 -13.745 4.002 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.324 -13.749 5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.688 -10.368 6.255 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.595 -11.831 6.655 1.00 0.00 H new ATOM 866 N GLU A 57 -2.003 -15.995 0.282 1.00 0.00 N ATOM 867 CA GLU A 57 -1.181 -17.173 0.062 1.00 0.00 C ATOM 868 C GLU A 57 0.243 -16.762 -0.319 1.00 0.00 C ATOM 869 O GLU A 57 1.173 -17.560 -0.210 1.00 0.00 O ATOM 870 CB GLU A 57 -1.795 -18.078 -1.008 1.00 0.00 C ATOM 871 CG GLU A 57 -3.109 -18.691 -0.519 1.00 0.00 C ATOM 872 CD GLU A 57 -3.398 -20.011 -1.236 1.00 0.00 C ATOM 873 OE1 GLU A 57 -2.685 -20.991 -0.930 1.00 0.00 O ATOM 874 OE2 GLU A 57 -4.325 -20.011 -2.074 1.00 0.00 O ATOM 0 H GLU A 57 -2.579 -15.722 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.139 -17.742 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.974 -17.503 -1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.093 -18.871 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.057 -18.861 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.927 -17.992 -0.692 1.00 0.00 H new ATOM 881 N GLN A 58 0.369 -15.518 -0.758 1.00 0.00 N ATOM 882 CA GLN A 58 1.663 -14.992 -1.155 1.00 0.00 C ATOM 883 C GLN A 58 2.018 -13.764 -0.315 1.00 0.00 C ATOM 884 O GLN A 58 3.023 -13.102 -0.570 1.00 0.00 O ATOM 885 CB GLN A 58 1.685 -14.660 -2.648 1.00 0.00 C ATOM 886 CG GLN A 58 3.027 -15.041 -3.276 1.00 0.00 C ATOM 887 CD GLN A 58 3.127 -14.527 -4.713 1.00 0.00 C ATOM 888 OE1 GLN A 58 2.554 -15.079 -5.638 1.00 0.00 O ATOM 889 NE2 GLN A 58 3.884 -13.442 -4.849 1.00 0.00 N ATOM 0 H GLN A 58 -0.405 -14.859 -0.847 1.00 0.00 H new ATOM 0 HA GLN A 58 2.416 -15.760 -0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.879 -15.191 -3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.503 -13.595 -2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.841 -14.627 -2.681 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.143 -16.125 -3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.336 -13.030 -4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.013 -13.022 -5.770 1.00 0.00 H new ATOM 898 N ILE A 59 1.173 -13.497 0.671 1.00 0.00 N ATOM 899 CA ILE A 59 1.385 -12.360 1.550 1.00 0.00 C ATOM 900 C ILE A 59 2.790 -12.439 2.150 1.00 0.00 C ATOM 901 O ILE A 59 3.561 -11.485 2.064 1.00 0.00 O ATOM 902 CB ILE A 59 0.273 -12.278 2.597 1.00 0.00 C ATOM 903 CG1 ILE A 59 -0.234 -10.842 2.749 1.00 0.00 C ATOM 904 CG2 ILE A 59 0.732 -12.868 3.932 1.00 0.00 C ATOM 905 CD1 ILE A 59 -1.099 -10.437 1.554 1.00 0.00 C ATOM 0 H ILE A 59 0.341 -14.049 0.880 1.00 0.00 H new ATOM 0 HA ILE A 59 1.331 -11.428 0.987 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.567 -12.880 2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.813 -10.752 3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.613 -10.161 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.077 -12.797 4.659 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.004 -13.914 3.793 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.597 -12.313 4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.446 -9.412 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.510 -10.505 0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.957 -11.105 1.483 1.00 0.00 H new ATOM 917 N ASP A 60 3.081 -13.587 2.745 1.00 0.00 N ATOM 918 CA ASP A 60 4.379 -13.804 3.360 1.00 0.00 C ATOM 919 C ASP A 60 5.465 -13.181 2.480 1.00 0.00 C ATOM 920 O ASP A 60 6.425 -12.604 2.988 1.00 0.00 O ATOM 921 CB ASP A 60 4.681 -15.297 3.497 1.00 0.00 C ATOM 922 CG ASP A 60 4.035 -16.188 2.434 1.00 0.00 C ATOM 923 OD1 ASP A 60 2.787 -16.173 2.364 1.00 0.00 O ATOM 924 OD2 ASP A 60 4.803 -16.865 1.717 1.00 0.00 O ATOM 0 H ASP A 60 2.439 -14.377 2.814 1.00 0.00 H new ATOM 0 HA ASP A 60 4.364 -13.347 4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.761 -15.439 3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.349 -15.631 4.480 1.00 0.00 H new ATOM 929 N ARG A 61 5.277 -13.319 1.176 1.00 0.00 N ATOM 930 CA ARG A 61 6.228 -12.776 0.221 1.00 0.00 C ATOM 931 C ARG A 61 5.985 -11.279 0.021 1.00 0.00 C ATOM 932 O ARG A 61 6.931 -10.494 -0.025 1.00 0.00 O ATOM 933 CB ARG A 61 6.120 -13.488 -1.129 1.00 0.00 C ATOM 934 CG ARG A 61 6.252 -15.003 -0.963 1.00 0.00 C ATOM 935 CD ARG A 61 7.721 -15.430 -0.973 1.00 0.00 C ATOM 936 NE ARG A 61 7.947 -16.440 -2.031 1.00 0.00 N ATOM 937 CZ ARG A 61 9.142 -16.700 -2.578 1.00 0.00 C ATOM 938 NH1 ARG A 61 10.226 -16.026 -2.171 1.00 0.00 N ATOM 939 NH2 ARG A 61 9.253 -17.633 -3.533 1.00 0.00 N ATOM 0 H ARG A 61 4.480 -13.799 0.758 1.00 0.00 H new ATOM 0 HA ARG A 61 7.228 -12.934 0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.162 -13.252 -1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.898 -13.123 -1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.786 -15.312 -0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.717 -15.508 -1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.359 -14.563 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.995 -15.841 -0.002 1.00 0.00 H new ATOM 0 HE ARG A 61 7.143 -16.971 -2.365 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.141 -15.315 -1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.136 -16.224 -2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.428 -18.145 -3.844 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.163 -17.831 -3.949 1.00 0.00 H new ATOM 953 N VAL A 62 4.713 -10.928 -0.091 1.00 0.00 N ATOM 954 CA VAL A 62 4.334 -9.539 -0.285 1.00 0.00 C ATOM 955 C VAL A 62 4.752 -8.725 0.942 1.00 0.00 C ATOM 956 O VAL A 62 5.570 -7.813 0.836 1.00 0.00 O ATOM 957 CB VAL A 62 2.836 -9.442 -0.585 1.00 0.00 C ATOM 958 CG1 VAL A 62 2.459 -8.031 -1.040 1.00 0.00 C ATOM 959 CG2 VAL A 62 2.417 -10.484 -1.623 1.00 0.00 C ATOM 0 H VAL A 62 3.931 -11.582 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 62 4.852 -9.118 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 62 2.294 -9.652 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.390 -7.989 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.705 -7.317 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.013 -7.780 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.348 -10.394 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.970 -10.319 -2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.634 -11.483 -1.244 1.00 0.00 H new ATOM 969 N VAL A 63 4.171 -9.085 2.077 1.00 0.00 N ATOM 970 CA VAL A 63 4.473 -8.400 3.322 1.00 0.00 C ATOM 971 C VAL A 63 5.991 -8.300 3.489 1.00 0.00 C ATOM 972 O VAL A 63 6.511 -7.245 3.847 1.00 0.00 O ATOM 973 CB VAL A 63 3.789 -9.112 4.491 1.00 0.00 C ATOM 974 CG1 VAL A 63 4.093 -8.409 5.815 1.00 0.00 C ATOM 975 CG2 VAL A 63 2.280 -9.217 4.260 1.00 0.00 C ATOM 0 H VAL A 63 3.493 -9.842 2.160 1.00 0.00 H new ATOM 0 HA VAL A 63 4.080 -7.384 3.303 1.00 0.00 H new ATOM 0 HB VAL A 63 4.191 -10.123 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.595 -8.935 6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.169 -8.409 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.732 -7.381 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.817 -9.727 5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.856 -8.217 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.090 -9.782 3.347 1.00 0.00 H new ATOM 985 N GLY A 64 6.658 -9.413 3.222 1.00 0.00 N ATOM 986 CA GLY A 64 8.105 -9.464 3.338 1.00 0.00 C ATOM 987 C GLY A 64 8.768 -8.487 2.366 1.00 0.00 C ATOM 988 O GLY A 64 9.824 -7.931 2.662 1.00 0.00 O ATOM 0 H GLY A 64 6.223 -10.287 2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.400 -9.223 4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.454 -10.477 3.136 1.00 0.00 H new ATOM 992 N ALA A 65 8.121 -8.309 1.223 1.00 0.00 N ATOM 993 CA ALA A 65 8.635 -7.409 0.205 1.00 0.00 C ATOM 994 C ALA A 65 8.343 -5.963 0.613 1.00 0.00 C ATOM 995 O ALA A 65 9.197 -5.090 0.472 1.00 0.00 O ATOM 996 CB ALA A 65 8.021 -7.767 -1.150 1.00 0.00 C ATOM 0 H ALA A 65 7.246 -8.773 0.980 1.00 0.00 H new ATOM 0 HA ALA A 65 9.716 -7.513 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.407 -7.092 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.282 -8.793 -1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.937 -7.671 -1.095 1.00 0.00 H new ATOM 1002 N PHE A 66 7.133 -5.756 1.112 1.00 0.00 N ATOM 1003 CA PHE A 66 6.717 -4.432 1.542 1.00 0.00 C ATOM 1004 C PHE A 66 7.646 -3.893 2.633 1.00 0.00 C ATOM 1005 O PHE A 66 7.720 -2.685 2.848 1.00 0.00 O ATOM 1006 CB PHE A 66 5.305 -4.570 2.114 1.00 0.00 C ATOM 1007 CG PHE A 66 4.195 -4.225 1.119 1.00 0.00 C ATOM 1008 CD1 PHE A 66 3.784 -5.150 0.210 1.00 0.00 C ATOM 1009 CD2 PHE A 66 3.619 -2.993 1.143 1.00 0.00 C ATOM 1010 CE1 PHE A 66 2.754 -4.830 -0.713 1.00 0.00 C ATOM 1011 CE2 PHE A 66 2.589 -2.673 0.220 1.00 0.00 C ATOM 1012 CZ PHE A 66 2.178 -3.598 -0.689 1.00 0.00 C ATOM 0 H PHE A 66 6.427 -6.483 1.228 1.00 0.00 H new ATOM 0 HA PHE A 66 6.749 -3.740 0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.163 -5.593 2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.212 -3.922 2.986 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.241 -6.128 0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.945 -2.258 1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.428 -5.565 -1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.132 -1.695 0.239 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.395 -3.354 -1.391 1.00 0.00 H new ATOM 1022 N ASN A 67 8.330 -4.817 3.292 1.00 0.00 N ATOM 1023 CA ASN A 67 9.250 -4.450 4.355 1.00 0.00 C ATOM 1024 C ASN A 67 10.542 -3.907 3.741 1.00 0.00 C ATOM 1025 O ASN A 67 11.636 -4.237 4.194 1.00 0.00 O ATOM 1026 CB ASN A 67 9.610 -5.663 5.215 1.00 0.00 C ATOM 1027 CG ASN A 67 9.588 -5.305 6.703 1.00 0.00 C ATOM 1028 OD1 ASN A 67 10.486 -4.666 7.227 1.00 0.00 O ATOM 1029 ND2 ASN A 67 8.517 -5.753 7.351 1.00 0.00 N ATOM 0 H ASN A 67 8.265 -5.819 3.110 1.00 0.00 H new ATOM 0 HA ASN A 67 8.764 -3.698 4.977 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.906 -6.473 5.021 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.599 -6.028 4.940 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.410 -5.568 8.348 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.803 -6.282 6.851 1.00 0.00 H new ATOM 1036 N GLN A 68 10.371 -3.082 2.717 1.00 0.00 N ATOM 1037 CA GLN A 68 11.510 -2.490 2.036 1.00 0.00 C ATOM 1038 C GLN A 68 11.036 -1.602 0.884 1.00 0.00 C ATOM 1039 O GLN A 68 11.686 -0.613 0.550 1.00 0.00 O ATOM 1040 CB GLN A 68 12.472 -3.569 1.537 1.00 0.00 C ATOM 1041 CG GLN A 68 11.763 -4.541 0.591 1.00 0.00 C ATOM 1042 CD GLN A 68 12.763 -5.222 -0.346 1.00 0.00 C ATOM 1043 OE1 GLN A 68 13.024 -4.774 -1.450 1.00 0.00 O ATOM 1044 NE2 GLN A 68 13.306 -6.328 0.156 1.00 0.00 N ATOM 0 H GLN A 68 9.462 -2.810 2.343 1.00 0.00 H new ATOM 0 HA GLN A 68 12.052 -1.869 2.749 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.312 -3.103 1.022 1.00 0.00 H new ATOM 0 HB3 GLN A 68 12.882 -4.116 2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 68 11.231 -5.295 1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.017 -4.004 0.005 1.00 0.00 H new ATOM 0 HE21 GLN A 68 13.043 -6.648 1.088 1.00 0.00 H new ATOM 0 HE22 GLN A 68 13.986 -6.856 -0.391 1.00 0.00 H new ATOM 1053 N ALA A 69 9.906 -1.987 0.308 1.00 0.00 N ATOM 1054 CA ALA A 69 9.338 -1.238 -0.800 1.00 0.00 C ATOM 1055 C ALA A 69 8.671 0.030 -0.263 1.00 0.00 C ATOM 1056 O ALA A 69 8.435 0.976 -1.013 1.00 0.00 O ATOM 1057 CB ALA A 69 8.361 -2.129 -1.570 1.00 0.00 C ATOM 0 H ALA A 69 9.369 -2.808 0.588 1.00 0.00 H new ATOM 0 HA ALA A 69 10.118 -0.931 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.934 -1.568 -2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.890 -3.001 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.562 -2.454 -0.904 1.00 0.00 H new ATOM 1063 N LYS A 70 8.386 0.009 1.031 1.00 0.00 N ATOM 1064 CA LYS A 70 7.751 1.145 1.676 1.00 0.00 C ATOM 1065 C LYS A 70 8.490 2.426 1.286 1.00 0.00 C ATOM 1066 O LYS A 70 7.932 3.520 1.371 1.00 0.00 O ATOM 1067 CB LYS A 70 7.662 0.922 3.187 1.00 0.00 C ATOM 1068 CG LYS A 70 6.226 1.100 3.684 1.00 0.00 C ATOM 1069 CD LYS A 70 6.154 0.979 5.207 1.00 0.00 C ATOM 1070 CE LYS A 70 5.941 -0.476 5.632 1.00 0.00 C ATOM 1071 NZ LYS A 70 5.285 -0.538 6.957 1.00 0.00 N ATOM 0 H LYS A 70 8.583 -0.777 1.650 1.00 0.00 H new ATOM 0 HA LYS A 70 6.722 1.253 1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.014 -0.080 3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.318 1.624 3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.849 2.075 3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.583 0.349 3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.074 1.360 5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.339 1.595 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.329 -0.991 4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.899 -0.994 5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.148 -1.532 7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.884 -0.064 7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.362 -0.061 6.910 1.00 0.00 H new ATOM 1085 N GLY A 71 9.734 2.249 0.866 1.00 0.00 N ATOM 1086 CA GLY A 71 10.556 3.378 0.463 1.00 0.00 C ATOM 1087 C GLY A 71 9.902 4.149 -0.686 1.00 0.00 C ATOM 1088 O GLY A 71 9.796 5.374 -0.635 1.00 0.00 O ATOM 0 H GLY A 71 10.193 1.341 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.708 4.044 1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.540 3.025 0.155 1.00 0.00 H new ATOM 1092 N VAL A 72 9.481 3.401 -1.695 1.00 0.00 N ATOM 1093 CA VAL A 72 8.840 3.999 -2.853 1.00 0.00 C ATOM 1094 C VAL A 72 7.403 4.382 -2.495 1.00 0.00 C ATOM 1095 O VAL A 72 6.919 5.439 -2.899 1.00 0.00 O ATOM 1096 CB VAL A 72 8.925 3.047 -4.048 1.00 0.00 C ATOM 1097 CG1 VAL A 72 10.334 3.040 -4.645 1.00 0.00 C ATOM 1098 CG2 VAL A 72 8.489 1.634 -3.655 1.00 0.00 C ATOM 0 H VAL A 72 9.571 2.386 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 72 9.356 4.913 -3.145 1.00 0.00 H new ATOM 0 HB VAL A 72 8.239 3.409 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.367 2.355 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.592 4.045 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.048 2.715 -3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.559 0.977 -4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.138 1.260 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.459 1.657 -3.299 1.00 0.00 H new ATOM 1108 N PHE A 73 6.760 3.502 -1.741 1.00 0.00 N ATOM 1109 CA PHE A 73 5.388 3.735 -1.324 1.00 0.00 C ATOM 1110 C PHE A 73 5.257 5.072 -0.591 1.00 0.00 C ATOM 1111 O PHE A 73 4.322 5.832 -0.840 1.00 0.00 O ATOM 1112 CB PHE A 73 5.013 2.603 -0.367 1.00 0.00 C ATOM 1113 CG PHE A 73 5.160 1.204 -0.969 1.00 0.00 C ATOM 1114 CD1 PHE A 73 5.276 1.052 -2.316 1.00 0.00 C ATOM 1115 CD2 PHE A 73 5.176 0.112 -0.158 1.00 0.00 C ATOM 1116 CE1 PHE A 73 5.412 -0.246 -2.875 1.00 0.00 C ATOM 1117 CE2 PHE A 73 5.313 -1.186 -0.717 1.00 0.00 C ATOM 1118 CZ PHE A 73 5.428 -1.338 -2.064 1.00 0.00 C ATOM 0 H PHE A 73 7.164 2.627 -1.408 1.00 0.00 H new ATOM 0 HA PHE A 73 4.734 3.764 -2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.638 2.672 0.523 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.981 2.741 -0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.265 1.919 -2.960 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.084 0.232 0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.503 -0.366 -3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.326 -2.053 -0.073 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.532 -2.325 -2.489 1.00 0.00 H new ATOM 1128 N SER A 74 6.207 5.317 0.299 1.00 0.00 N ATOM 1129 CA SER A 74 6.210 6.549 1.070 1.00 0.00 C ATOM 1130 C SER A 74 6.614 7.724 0.178 1.00 0.00 C ATOM 1131 O SER A 74 6.189 8.856 0.405 1.00 0.00 O ATOM 1132 CB SER A 74 7.153 6.445 2.270 1.00 0.00 C ATOM 1133 OG SER A 74 6.625 5.604 3.293 1.00 0.00 O ATOM 0 H SER A 74 6.980 4.684 0.504 1.00 0.00 H new ATOM 0 HA SER A 74 5.202 6.718 1.448 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.116 6.055 1.941 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.334 7.440 2.676 1.00 0.00 H new ATOM 0 HG SER A 74 6.840 4.669 3.092 1.00 0.00 H new ATOM 1139 N ARG A 75 7.431 7.416 -0.819 1.00 0.00 N ATOM 1140 CA ARG A 75 7.897 8.433 -1.746 1.00 0.00 C ATOM 1141 C ARG A 75 6.752 8.891 -2.651 1.00 0.00 C ATOM 1142 O ARG A 75 6.700 10.053 -3.052 1.00 0.00 O ATOM 1143 CB ARG A 75 9.042 7.904 -2.612 1.00 0.00 C ATOM 1144 CG ARG A 75 10.236 8.861 -2.586 1.00 0.00 C ATOM 1145 CD ARG A 75 11.556 8.095 -2.692 1.00 0.00 C ATOM 1146 NE ARG A 75 12.241 8.438 -3.958 1.00 0.00 N ATOM 1147 CZ ARG A 75 13.257 7.736 -4.477 1.00 0.00 C ATOM 1148 NH1 ARG A 75 13.711 6.646 -3.843 1.00 0.00 N ATOM 1149 NH2 ARG A 75 13.818 8.122 -5.631 1.00 0.00 N ATOM 0 H ARG A 75 7.782 6.476 -1.005 1.00 0.00 H new ATOM 0 HA ARG A 75 8.260 9.277 -1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.350 6.922 -2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.697 7.775 -3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.156 9.570 -3.410 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.221 9.441 -1.663 1.00 0.00 H new ATOM 0 HD2 ARG A 75 12.197 8.339 -1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.368 7.022 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 75 11.919 9.261 -4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.283 6.351 -2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.485 6.111 -4.238 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.471 8.951 -6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.592 7.587 -6.026 1.00 0.00 H new ATOM 1163 N VAL A 76 5.862 7.955 -2.946 1.00 0.00 N ATOM 1164 CA VAL A 76 4.721 8.248 -3.796 1.00 0.00 C ATOM 1165 C VAL A 76 4.040 9.527 -3.305 1.00 0.00 C ATOM 1166 O VAL A 76 3.945 10.506 -4.043 1.00 0.00 O ATOM 1167 CB VAL A 76 3.776 7.045 -3.837 1.00 0.00 C ATOM 1168 CG1 VAL A 76 2.480 7.391 -4.574 1.00 0.00 C ATOM 1169 CG2 VAL A 76 4.460 5.831 -4.468 1.00 0.00 C ATOM 0 H VAL A 76 5.908 6.993 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 76 5.044 8.425 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 76 3.518 6.786 -2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.826 6.519 -4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.978 8.212 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.711 7.689 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.766 4.990 -4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.762 6.072 -5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.340 5.564 -3.882 1.00 0.00 H new ATOM 1179 N LEU A 77 3.584 9.477 -2.062 1.00 0.00 N ATOM 1180 CA LEU A 77 2.915 10.620 -1.464 1.00 0.00 C ATOM 1181 C LEU A 77 3.939 11.725 -1.202 1.00 0.00 C ATOM 1182 O LEU A 77 3.615 12.909 -1.285 1.00 0.00 O ATOM 1183 CB LEU A 77 2.138 10.193 -0.217 1.00 0.00 C ATOM 1184 CG LEU A 77 1.443 8.832 -0.293 1.00 0.00 C ATOM 1185 CD1 LEU A 77 2.134 7.812 0.614 1.00 0.00 C ATOM 1186 CD2 LEU A 77 -0.049 8.960 0.021 1.00 0.00 C ATOM 0 H LEU A 77 3.665 8.663 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 77 2.173 11.029 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.826 10.181 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.385 10.952 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 77 1.526 8.463 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.620 6.853 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.172 7.692 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.103 8.163 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.519 7.979 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.176 9.361 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.516 9.631 -0.699 1.00 0.00 H new ATOM 1198 N ALA A 78 5.155 11.300 -0.890 1.00 0.00 N ATOM 1199 CA ALA A 78 6.229 12.239 -0.615 1.00 0.00 C ATOM 1200 C ALA A 78 6.227 13.336 -1.682 1.00 0.00 C ATOM 1201 O ALA A 78 6.390 14.514 -1.367 1.00 0.00 O ATOM 1202 CB ALA A 78 7.561 11.488 -0.553 1.00 0.00 C ATOM 0 H ALA A 78 5.420 10.317 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 78 6.081 12.719 0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.367 12.193 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.521 10.741 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.746 10.995 -1.508 1.00 0.00 H new ATOM 1208 N HIS A 79 6.040 12.910 -2.923 1.00 0.00 N ATOM 1209 CA HIS A 79 6.015 13.842 -4.038 1.00 0.00 C ATOM 1210 C HIS A 79 5.281 15.118 -3.623 1.00 0.00 C ATOM 1211 O HIS A 79 5.584 16.202 -4.120 1.00 0.00 O ATOM 1212 CB HIS A 79 5.409 13.186 -5.280 1.00 0.00 C ATOM 1213 CG HIS A 79 6.241 13.350 -6.529 1.00 0.00 C ATOM 1214 ND1 HIS A 79 6.114 12.520 -7.629 1.00 0.00 N ATOM 1215 CD2 HIS A 79 7.212 14.256 -6.841 1.00 0.00 C ATOM 1216 CE1 HIS A 79 6.974 12.917 -8.555 1.00 0.00 C ATOM 1217 NE2 HIS A 79 7.654 13.993 -8.064 1.00 0.00 N ATOM 0 H HIS A 79 5.904 11.932 -3.181 1.00 0.00 H new ATOM 0 HA HIS A 79 7.034 14.122 -4.307 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.270 12.123 -5.085 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.420 13.610 -5.456 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.562 15.052 -6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.112 12.468 -9.527 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.382 14.510 -8.556 1.00 0.00 H new ATOM 1226 N ASN A 80 4.329 14.948 -2.717 1.00 0.00 N ATOM 1227 CA ASN A 80 3.549 16.073 -2.231 1.00 0.00 C ATOM 1228 C ASN A 80 3.996 16.421 -0.809 1.00 0.00 C ATOM 1229 O ASN A 80 4.687 17.416 -0.598 1.00 0.00 O ATOM 1230 CB ASN A 80 2.058 15.732 -2.187 1.00 0.00 C ATOM 1231 CG ASN A 80 1.400 15.977 -3.547 1.00 0.00 C ATOM 1232 OD1 ASN A 80 1.313 15.100 -4.390 1.00 0.00 O ATOM 1233 ND2 ASN A 80 0.943 17.215 -3.711 1.00 0.00 N ATOM 0 H ASN A 80 4.080 14.048 -2.307 1.00 0.00 H new ATOM 0 HA ASN A 80 3.707 16.911 -2.909 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.928 14.689 -1.899 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.565 16.337 -1.426 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.487 17.479 -4.584 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.049 17.901 -2.963 1.00 0.00 H new ATOM 1240 N LEU A 81 3.583 15.581 0.129 1.00 0.00 N ATOM 1241 CA LEU A 81 3.932 15.787 1.524 1.00 0.00 C ATOM 1242 C LEU A 81 5.446 15.647 1.693 1.00 0.00 C ATOM 1243 O LEU A 81 6.186 15.649 0.710 1.00 0.00 O ATOM 1244 CB LEU A 81 3.123 14.850 2.423 1.00 0.00 C ATOM 1245 CG LEU A 81 1.921 15.474 3.134 1.00 0.00 C ATOM 1246 CD1 LEU A 81 2.290 16.822 3.755 1.00 0.00 C ATOM 1247 CD2 LEU A 81 0.723 15.587 2.189 1.00 0.00 C ATOM 0 H LEU A 81 3.010 14.756 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 81 3.668 16.797 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.769 14.015 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.792 14.436 3.178 1.00 0.00 H new ATOM 0 HG LEU A 81 1.627 14.814 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.418 17.244 4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.091 16.681 4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.625 17.503 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.118 16.034 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.989 16.213 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.443 14.594 1.836 1.00 0.00 H new ATOM 1259 N TYR A 82 5.861 15.528 2.945 1.00 0.00 N ATOM 1260 CA TYR A 82 7.274 15.387 3.255 1.00 0.00 C ATOM 1261 C TYR A 82 7.475 14.934 4.702 1.00 0.00 C ATOM 1262 O TYR A 82 6.544 14.977 5.505 1.00 0.00 O ATOM 1263 CB TYR A 82 7.885 16.778 3.078 1.00 0.00 C ATOM 1264 CG TYR A 82 9.413 16.801 3.159 1.00 0.00 C ATOM 1265 CD1 TYR A 82 10.159 15.969 2.349 1.00 0.00 C ATOM 1266 CD2 TYR A 82 10.045 17.655 4.040 1.00 0.00 C ATOM 1267 CE1 TYR A 82 11.597 15.990 2.425 1.00 0.00 C ATOM 1268 CE2 TYR A 82 11.483 17.676 4.115 1.00 0.00 C ATOM 1269 CZ TYR A 82 12.188 16.843 3.304 1.00 0.00 C ATOM 1270 OH TYR A 82 13.546 16.864 3.375 1.00 0.00 O ATOM 0 H TYR A 82 5.244 15.526 3.757 1.00 0.00 H new ATOM 0 HA TYR A 82 7.737 14.642 2.608 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.576 17.179 2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 82 7.481 17.441 3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.664 15.302 1.658 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.461 18.307 4.673 1.00 0.00 H new ATOM 0 HE1 TYR A 82 12.193 15.343 1.798 1.00 0.00 H new ATOM 0 HE2 TYR A 82 11.990 18.339 4.800 1.00 0.00 H new ATOM 0 HH TYR A 82 13.828 17.522 4.045 1.00 0.00 H new ATOM 1280 N LEU A 83 8.697 14.511 4.992 1.00 0.00 N ATOM 1281 CA LEU A 83 9.032 14.051 6.329 1.00 0.00 C ATOM 1282 C LEU A 83 8.726 12.556 6.441 1.00 0.00 C ATOM 1283 O LEU A 83 9.617 11.723 6.283 1.00 0.00 O ATOM 1284 CB LEU A 83 8.324 14.904 7.383 1.00 0.00 C ATOM 1285 CG LEU A 83 8.922 14.865 8.790 1.00 0.00 C ATOM 1286 CD1 LEU A 83 8.452 16.062 9.619 1.00 0.00 C ATOM 1287 CD2 LEU A 83 8.615 13.534 9.480 1.00 0.00 C ATOM 0 H LEU A 83 9.467 14.477 4.324 1.00 0.00 H new ATOM 0 HA LEU A 83 10.099 14.174 6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.319 15.939 7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.284 14.583 7.443 1.00 0.00 H new ATOM 0 HG LEU A 83 10.006 14.940 8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.892 16.010 10.615 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.764 16.986 9.133 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.365 16.044 9.701 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.052 13.533 10.479 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.535 13.404 9.556 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.039 12.716 8.898 1.00 0.00 H new ATOM 1299 N ALA A 84 7.463 12.262 6.712 1.00 0.00 N ATOM 1300 CA ALA A 84 7.028 10.882 6.847 1.00 0.00 C ATOM 1301 C ALA A 84 5.654 10.848 7.518 1.00 0.00 C ATOM 1302 O ALA A 84 4.692 10.336 6.947 1.00 0.00 O ATOM 1303 CB ALA A 84 8.078 10.090 7.629 1.00 0.00 C ATOM 0 H ALA A 84 6.727 12.956 6.842 1.00 0.00 H new ATOM 0 HA ALA A 84 6.928 10.414 5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.752 9.055 7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.028 10.121 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.203 10.530 8.619 1.00 0.00 H new ATOM 1309 N LYS A 85 5.604 11.401 8.721 1.00 0.00 N ATOM 1310 CA LYS A 85 4.363 11.440 9.476 1.00 0.00 C ATOM 1311 C LYS A 85 3.266 12.066 8.613 1.00 0.00 C ATOM 1312 O LYS A 85 2.087 11.760 8.783 1.00 0.00 O ATOM 1313 CB LYS A 85 4.572 12.151 10.815 1.00 0.00 C ATOM 1314 CG LYS A 85 5.634 11.438 11.654 1.00 0.00 C ATOM 1315 CD LYS A 85 5.090 10.128 12.229 1.00 0.00 C ATOM 1316 CE LYS A 85 6.179 9.055 12.275 1.00 0.00 C ATOM 1317 NZ LYS A 85 6.738 8.943 13.641 1.00 0.00 N ATOM 0 H LYS A 85 6.403 11.826 9.192 1.00 0.00 H new ATOM 0 HA LYS A 85 4.037 10.430 9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.875 13.183 10.639 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.631 12.184 11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.511 11.233 11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.958 12.089 12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.702 10.301 13.233 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.256 9.779 11.621 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.766 8.095 11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.972 9.303 11.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.476 8.210 13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.150 9.855 13.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.981 8.685 14.306 1.00 0.00 H new ATOM 1331 N ALA A 86 3.693 12.931 7.704 1.00 0.00 N ATOM 1332 CA ALA A 86 2.761 13.602 6.814 1.00 0.00 C ATOM 1333 C ALA A 86 2.087 12.566 5.913 1.00 0.00 C ATOM 1334 O ALA A 86 1.064 12.850 5.292 1.00 0.00 O ATOM 1335 CB ALA A 86 3.502 14.675 6.014 1.00 0.00 C ATOM 0 H ALA A 86 4.672 13.182 7.565 1.00 0.00 H new ATOM 0 HA ALA A 86 1.978 14.102 7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.803 15.179 5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.938 15.403 6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.293 14.209 5.427 1.00 0.00 H new ATOM 1341 N VAL A 87 2.687 11.385 5.871 1.00 0.00 N ATOM 1342 CA VAL A 87 2.157 10.305 5.056 1.00 0.00 C ATOM 1343 C VAL A 87 3.242 9.245 4.854 1.00 0.00 C ATOM 1344 O VAL A 87 4.354 9.562 4.435 1.00 0.00 O ATOM 1345 CB VAL A 87 1.612 10.861 3.739 1.00 0.00 C ATOM 1346 CG1 VAL A 87 2.500 11.991 3.212 1.00 0.00 C ATOM 1347 CG2 VAL A 87 1.459 9.752 2.697 1.00 0.00 C ATOM 0 H VAL A 87 3.535 11.153 6.388 1.00 0.00 H new ATOM 0 HA VAL A 87 1.320 9.822 5.560 1.00 0.00 H new ATOM 0 HB VAL A 87 0.623 11.275 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.091 12.369 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.535 12.798 3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.508 11.612 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.070 10.174 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.430 9.294 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.768 8.996 3.069 1.00 0.00 H new ATOM 1357 N GLN A 88 2.880 8.008 5.161 1.00 0.00 N ATOM 1358 CA GLN A 88 3.808 6.899 5.019 1.00 0.00 C ATOM 1359 C GLN A 88 3.054 5.620 4.651 1.00 0.00 C ATOM 1360 O GLN A 88 3.596 4.521 4.766 1.00 0.00 O ATOM 1361 CB GLN A 88 4.629 6.704 6.295 1.00 0.00 C ATOM 1362 CG GLN A 88 3.762 6.146 7.425 1.00 0.00 C ATOM 1363 CD GLN A 88 4.478 5.006 8.153 1.00 0.00 C ATOM 1364 OE1 GLN A 88 5.655 5.077 8.466 1.00 0.00 O ATOM 1365 NE2 GLN A 88 3.704 3.953 8.402 1.00 0.00 N ATOM 0 H GLN A 88 1.956 7.749 5.508 1.00 0.00 H new ATOM 0 HA GLN A 88 4.502 7.133 4.212 1.00 0.00 H new ATOM 0 HB2 GLN A 88 5.458 6.024 6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.063 7.656 6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.524 6.941 8.132 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.817 5.786 7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.726 3.959 8.113 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.089 3.140 8.882 1.00 0.00 H new ATOM 1374 N ILE A 89 1.817 5.804 4.216 1.00 0.00 N ATOM 1375 CA ILE A 89 0.983 4.678 3.830 1.00 0.00 C ATOM 1376 C ILE A 89 0.819 3.738 5.026 1.00 0.00 C ATOM 1377 O ILE A 89 1.751 3.554 5.808 1.00 0.00 O ATOM 1378 CB ILE A 89 1.549 3.995 2.583 1.00 0.00 C ATOM 1379 CG1 ILE A 89 1.039 4.672 1.309 1.00 0.00 C ATOM 1380 CG2 ILE A 89 1.247 2.495 2.595 1.00 0.00 C ATOM 1381 CD1 ILE A 89 1.796 4.165 0.079 1.00 0.00 C ATOM 0 H ILE A 89 1.371 6.717 4.122 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.014 5.019 3.553 1.00 0.00 H new ATOM 0 HB ILE A 89 2.633 4.105 2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.027 4.477 1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.158 5.752 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.660 2.034 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.697 2.040 3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.168 2.341 2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.415 4.662 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.858 4.383 0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.655 3.088 -0.017 1.00 0.00 H new ATOM 1393 N HIS A 90 -0.372 3.167 5.130 1.00 0.00 N ATOM 1394 CA HIS A 90 -0.669 2.250 6.217 1.00 0.00 C ATOM 1395 C HIS A 90 -0.672 0.813 5.690 1.00 0.00 C ATOM 1396 O HIS A 90 -1.362 0.505 4.720 1.00 0.00 O ATOM 1397 CB HIS A 90 -1.981 2.631 6.905 1.00 0.00 C ATOM 1398 CG HIS A 90 -2.211 1.927 8.221 1.00 0.00 C ATOM 1399 ND1 HIS A 90 -2.568 2.598 9.378 1.00 0.00 N ATOM 1400 CD2 HIS A 90 -2.133 0.606 8.551 1.00 0.00 C ATOM 1401 CE1 HIS A 90 -2.695 1.711 10.354 1.00 0.00 C ATOM 1402 NE2 HIS A 90 -2.424 0.477 9.840 1.00 0.00 N ATOM 0 H HIS A 90 -1.142 3.322 4.480 1.00 0.00 H new ATOM 0 HA HIS A 90 0.108 2.319 6.979 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -1.991 3.708 7.074 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -2.810 2.406 6.234 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.878 -0.199 7.878 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.966 1.927 11.377 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -2.442 -0.400 10.360 1.00 0.00 H new ATOM 1411 N PHE A 91 0.109 -0.027 6.354 1.00 0.00 N ATOM 1412 CA PHE A 91 0.206 -1.424 5.964 1.00 0.00 C ATOM 1413 C PHE A 91 -0.708 -2.298 6.827 1.00 0.00 C ATOM 1414 O PHE A 91 -0.568 -2.331 8.048 1.00 0.00 O ATOM 1415 CB PHE A 91 1.658 -1.851 6.187 1.00 0.00 C ATOM 1416 CG PHE A 91 1.960 -3.284 5.745 1.00 0.00 C ATOM 1417 CD1 PHE A 91 1.030 -3.992 5.050 1.00 0.00 C ATOM 1418 CD2 PHE A 91 3.158 -3.851 6.049 1.00 0.00 C ATOM 1419 CE1 PHE A 91 1.310 -5.322 4.641 1.00 0.00 C ATOM 1420 CE2 PHE A 91 3.439 -5.182 5.640 1.00 0.00 C ATOM 1421 CZ PHE A 91 2.508 -5.889 4.944 1.00 0.00 C ATOM 0 H PHE A 91 0.680 0.232 7.159 1.00 0.00 H new ATOM 0 HA PHE A 91 -0.098 -1.542 4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.314 -1.169 5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.897 -1.750 7.246 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.078 -3.542 4.809 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.896 -3.289 6.602 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.571 -5.884 4.089 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.391 -5.632 5.881 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.721 -6.901 4.632 1.00 0.00 H new ATOM 1431 N VAL A 92 -1.622 -2.984 6.156 1.00 0.00 N ATOM 1432 CA VAL A 92 -2.558 -3.856 6.846 1.00 0.00 C ATOM 1433 C VAL A 92 -2.401 -5.284 6.319 1.00 0.00 C ATOM 1434 O VAL A 92 -1.971 -5.487 5.184 1.00 0.00 O ATOM 1435 CB VAL A 92 -3.982 -3.316 6.698 1.00 0.00 C ATOM 1436 CG1 VAL A 92 -5.013 -4.423 6.926 1.00 0.00 C ATOM 1437 CG2 VAL A 92 -4.223 -2.138 7.643 1.00 0.00 C ATOM 0 H VAL A 92 -1.734 -2.954 5.143 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.343 -3.879 7.914 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.099 -2.954 5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.017 -4.014 6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.862 -5.217 6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.895 -4.828 7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.243 -1.773 7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.078 -2.463 8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.520 -1.337 7.413 1.00 0.00 H new ATOM 1447 N LYS A 93 -2.758 -6.236 7.168 1.00 0.00 N ATOM 1448 CA LYS A 93 -2.663 -7.639 6.802 1.00 0.00 C ATOM 1449 C LYS A 93 -3.655 -8.449 7.640 1.00 0.00 C ATOM 1450 O LYS A 93 -4.369 -9.299 7.112 1.00 0.00 O ATOM 1451 CB LYS A 93 -1.217 -8.126 6.919 1.00 0.00 C ATOM 1452 CG LYS A 93 -0.475 -7.378 8.028 1.00 0.00 C ATOM 1453 CD LYS A 93 0.508 -8.302 8.750 1.00 0.00 C ATOM 1454 CE LYS A 93 -0.232 -9.290 9.654 1.00 0.00 C ATOM 1455 NZ LYS A 93 -0.042 -10.676 9.171 1.00 0.00 N ATOM 0 H LYS A 93 -3.114 -6.064 8.108 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.939 -7.780 5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.205 -9.196 7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.702 -7.980 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.062 -6.530 7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.193 -6.975 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.103 -8.848 8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.201 -7.708 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.135 -9.201 10.677 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.295 -9.048 9.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.837 -11.267 9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.003 -10.679 8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.847 -11.058 9.552 1.00 0.00 H new