USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 974 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 114 ASN : amide:sc= 1.44 K(o=2.2,f=0.51) USER MOD Set 1.2: A 116 TYR OH : rot 91:sc= 0.774 USER MOD Set 2.1: A 102 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.7!) USER MOD Set 2.2: A 109 TYR OH : rot 180:sc= -0.0103 USER MOD Set 3.1: A 84 ASN : amide:sc= -0.187 K(o=-4,f=-5.3) USER MOD Set 3.2: A 86 HIS : no HD1:sc= -3.78! C(o=-4!,f=-4.4!) USER MOD Set 4.1: A 38 LYS NZ :NH3+ -107:sc= -1.35 (180deg=-0.102) USER MOD Set 4.2: A 117 GLN : amide:sc= 0.687 K(o=-0.66,f=1.4) USER MOD Single : A 14 SER OG : rot 29:sc= 0.242 USER MOD Single : A 16 ASN : amide:sc= -1.36! K(o=-1.4!,f=-0.02) USER MOD Single : A 18 ASN : amide:sc= -1.88 K(o=-1.9,f=-2.6) USER MOD Single : A 19 SER OG : rot -127:sc= 0.113 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00313 USER MOD Single : A 29 ASN : amide:sc= 0.326 K(o=0.33,f=-4.5!) USER MOD Single : A 30 GLN : amide:sc= -2.65! C(o=-2.7!,f=-5.5!) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= 1.04 (180deg=-0.118!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -145:sc= 1.3 (180deg=0.657) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 140:sc= -0.143 (180deg=-0.654) USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00653 USER MOD Single : A 49 GLN : amide:sc= -0.0721 X(o=-0.072,f=-0.15) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.17) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=0) USER MOD Single : A 83 SER OG : rot -44:sc= 0.296 USER MOD Single : A 90 GLN : amide:sc= -3.22! C(o=-3.2!,f=-4.7!) USER MOD Single : A 97 ASN : amide:sc= 0.00302 X(o=0.003,f=-0.48) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -140:sc= 0 USER MOD Single : A 108 CYS SG : rot 0:sc= -1.31! USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot -37:sc= -0.0258 USER MOD Single : A 128 ASN : amide:sc= 0.168 K(o=0.17,f=-7.8!) USER MOD Single : A 129 MET CE :methyl -121:sc= -0.414 (180deg=-3.33!) USER MOD Single : A 133 LYS NZ :NH3+ -133:sc= -1.35! (180deg=-4.54!) USER MOD Single : A 134 SER OG : rot -50:sc= 0.0795 USER MOD Single : A 138 THR OG1 : rot -28:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 14 13.196 21.911 12.799 1.00 0.00 N ATOM 2 CA SER A 14 12.276 21.691 11.665 1.00 0.00 C ATOM 3 C SER A 14 12.793 20.565 10.770 1.00 0.00 C ATOM 4 O SER A 14 13.738 20.753 10.006 1.00 0.00 O ATOM 5 CB SER A 14 12.150 22.985 10.860 1.00 0.00 C ATOM 6 OG SER A 14 11.891 24.092 11.710 1.00 0.00 O ATOM 0 HA SER A 14 11.297 21.403 12.048 1.00 0.00 H new ATOM 0 HB2 SER A 14 13.069 23.160 10.300 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.346 22.886 10.131 1.00 0.00 H new ATOM 0 HG SER A 14 12.290 23.929 12.590 1.00 0.00 H new ATOM 12 N LEU A 15 12.172 19.394 10.869 1.00 0.00 N ATOM 13 CA LEU A 15 12.590 18.239 10.083 1.00 0.00 C ATOM 14 C LEU A 15 11.778 18.144 8.797 1.00 0.00 C ATOM 15 O LEU A 15 10.601 17.778 8.820 1.00 0.00 O ATOM 16 CB LEU A 15 12.429 16.953 10.897 1.00 0.00 C ATOM 17 CG LEU A 15 13.297 16.862 12.152 1.00 0.00 C ATOM 18 CD1 LEU A 15 13.017 15.568 12.895 1.00 0.00 C ATOM 19 CD2 LEU A 15 14.771 16.958 11.789 1.00 0.00 C ATOM 0 H LEU A 15 11.378 19.220 11.485 1.00 0.00 H new ATOM 0 HA LEU A 15 13.642 18.365 9.825 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.384 16.857 11.190 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.659 16.104 10.254 1.00 0.00 H new ATOM 0 HG LEU A 15 13.049 17.698 12.806 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.642 15.518 13.786 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.967 15.535 13.186 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.240 14.721 12.247 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.374 16.891 12.695 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.034 16.141 11.117 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.963 17.910 11.295 1.00 0.00 H new ATOM 31 N ASN A 16 12.403 18.483 7.681 1.00 0.00 N ATOM 32 CA ASN A 16 11.735 18.438 6.388 1.00 0.00 C ATOM 33 C ASN A 16 12.387 17.388 5.503 1.00 0.00 C ATOM 34 O ASN A 16 13.574 17.480 5.187 1.00 0.00 O ATOM 35 CB ASN A 16 11.779 19.806 5.700 1.00 0.00 C ATOM 36 CG ASN A 16 10.979 20.865 6.435 1.00 0.00 C ATOM 37 OD1 ASN A 16 11.328 22.043 6.417 1.00 0.00 O ATOM 38 ND2 ASN A 16 9.896 20.458 7.083 1.00 0.00 N ATOM 0 H ASN A 16 13.374 18.793 7.643 1.00 0.00 H new ATOM 0 HA ASN A 16 10.691 18.172 6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.816 20.133 5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.395 19.708 4.684 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.321 21.132 7.589 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.638 19.471 7.075 1.00 0.00 H new ATOM 45 N GLU A 17 11.609 16.393 5.109 1.00 0.00 N ATOM 46 CA GLU A 17 12.123 15.297 4.306 1.00 0.00 C ATOM 47 C GLU A 17 11.140 14.959 3.195 1.00 0.00 C ATOM 48 O GLU A 17 9.939 15.171 3.348 1.00 0.00 O ATOM 49 CB GLU A 17 12.360 14.058 5.177 1.00 0.00 C ATOM 50 CG GLU A 17 12.951 12.886 4.409 1.00 0.00 C ATOM 51 CD GLU A 17 12.985 11.606 5.214 1.00 0.00 C ATOM 52 OE1 GLU A 17 11.927 10.955 5.348 1.00 0.00 O ATOM 53 OE2 GLU A 17 14.077 11.226 5.686 1.00 0.00 O ATOM 0 H GLU A 17 10.616 16.322 5.333 1.00 0.00 H new ATOM 0 HA GLU A 17 13.072 15.607 3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.029 14.321 5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.415 13.751 5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.368 12.723 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.964 13.138 4.096 1.00 0.00 H new ATOM 60 N ASN A 18 11.674 14.458 2.078 1.00 0.00 N ATOM 61 CA ASN A 18 10.876 13.968 0.949 1.00 0.00 C ATOM 62 C ASN A 18 10.250 15.115 0.151 1.00 0.00 C ATOM 63 O ASN A 18 9.790 14.917 -0.973 1.00 0.00 O ATOM 64 CB ASN A 18 9.804 13.000 1.450 1.00 0.00 C ATOM 65 CG ASN A 18 9.164 12.182 0.342 1.00 0.00 C ATOM 66 OD1 ASN A 18 9.808 11.842 -0.650 1.00 0.00 O ATOM 67 ND2 ASN A 18 7.892 11.863 0.505 1.00 0.00 N ATOM 0 H ASN A 18 12.680 14.380 1.930 1.00 0.00 H new ATOM 0 HA ASN A 18 11.543 13.437 0.270 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.248 12.324 2.180 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.029 13.565 1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.408 11.315 -0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.394 12.165 1.342 1.00 0.00 H new ATOM 74 N SER A 19 10.265 16.312 0.719 1.00 0.00 N ATOM 75 CA SER A 19 9.716 17.489 0.063 1.00 0.00 C ATOM 76 C SER A 19 10.726 18.095 -0.912 1.00 0.00 C ATOM 77 O SER A 19 11.007 19.294 -0.876 1.00 0.00 O ATOM 78 CB SER A 19 9.307 18.513 1.125 1.00 0.00 C ATOM 79 OG SER A 19 10.307 18.638 2.125 1.00 0.00 O ATOM 0 H SER A 19 10.656 16.494 1.643 1.00 0.00 H new ATOM 0 HA SER A 19 8.839 17.197 -0.514 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.136 19.481 0.654 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.366 18.210 1.583 1.00 0.00 H new ATOM 0 HG SER A 19 9.904 18.509 3.009 1.00 0.00 H new ATOM 85 N GLU A 20 11.260 17.261 -1.789 1.00 0.00 N ATOM 86 CA GLU A 20 12.265 17.702 -2.741 1.00 0.00 C ATOM 87 C GLU A 20 11.611 18.390 -3.936 1.00 0.00 C ATOM 88 O GLU A 20 10.910 17.756 -4.725 1.00 0.00 O ATOM 89 CB GLU A 20 13.111 16.517 -3.210 1.00 0.00 C ATOM 90 CG GLU A 20 14.188 16.904 -4.208 1.00 0.00 C ATOM 91 CD GLU A 20 14.941 15.710 -4.749 1.00 0.00 C ATOM 92 OE1 GLU A 20 14.333 14.906 -5.490 1.00 0.00 O ATOM 93 OE2 GLU A 20 16.150 15.582 -4.460 1.00 0.00 O ATOM 0 H GLU A 20 11.014 16.274 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 20 12.915 18.421 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.579 16.049 -2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.458 15.770 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.732 17.446 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.892 17.586 -3.730 1.00 0.00 H new ATOM 100 N GLY A 21 11.840 19.690 -4.058 1.00 0.00 N ATOM 101 CA GLY A 21 11.261 20.444 -5.153 1.00 0.00 C ATOM 102 C GLY A 21 9.892 20.963 -4.795 1.00 0.00 C ATOM 103 O GLY A 21 9.129 21.388 -5.660 1.00 0.00 O ATOM 0 H GLY A 21 12.416 20.237 -3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 21 11.914 21.279 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.193 19.811 -6.038 1.00 0.00 H new ATOM 107 N THR A 22 9.585 20.916 -3.510 1.00 0.00 N ATOM 108 CA THR A 22 8.307 21.376 -3.010 1.00 0.00 C ATOM 109 C THR A 22 8.454 21.822 -1.554 1.00 0.00 C ATOM 110 O THR A 22 8.360 21.017 -0.624 1.00 0.00 O ATOM 111 CB THR A 22 7.218 20.276 -3.169 1.00 0.00 C ATOM 112 OG1 THR A 22 5.995 20.661 -2.526 1.00 0.00 O ATOM 113 CG2 THR A 22 7.694 18.933 -2.626 1.00 0.00 C ATOM 0 H THR A 22 10.213 20.559 -2.790 1.00 0.00 H new ATOM 0 HA THR A 22 7.981 22.233 -3.599 1.00 0.00 H new ATOM 0 HB THR A 22 7.030 20.165 -4.237 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.327 19.953 -2.642 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.907 18.189 -2.754 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.585 18.616 -3.169 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.931 19.032 -1.567 1.00 0.00 H new ATOM 121 N GLY A 23 8.724 23.113 -1.371 1.00 0.00 N ATOM 122 CA GLY A 23 8.937 23.658 -0.038 1.00 0.00 C ATOM 123 C GLY A 23 7.663 23.695 0.784 1.00 0.00 C ATOM 124 O GLY A 23 7.007 24.732 0.888 1.00 0.00 O ATOM 0 H GLY A 23 8.799 23.795 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.684 23.057 0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.341 24.667 -0.122 1.00 0.00 H new ATOM 128 N VAL A 24 7.311 22.556 1.358 1.00 0.00 N ATOM 129 CA VAL A 24 6.092 22.428 2.140 1.00 0.00 C ATOM 130 C VAL A 24 6.405 21.918 3.544 1.00 0.00 C ATOM 131 O VAL A 24 6.334 22.674 4.516 1.00 0.00 O ATOM 132 CB VAL A 24 5.087 21.484 1.442 1.00 0.00 C ATOM 133 CG1 VAL A 24 3.863 21.230 2.311 1.00 0.00 C ATOM 134 CG2 VAL A 24 4.668 22.066 0.108 1.00 0.00 C ATOM 0 H VAL A 24 7.859 21.698 1.296 1.00 0.00 H new ATOM 0 HA VAL A 24 5.639 23.416 2.220 1.00 0.00 H new ATOM 0 HB VAL A 24 5.584 20.528 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.178 20.562 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.172 20.770 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.361 22.175 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.960 21.393 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.197 23.036 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.545 22.188 -0.527 1.00 0.00 H new ATOM 144 N ALA A 25 6.766 20.642 3.631 1.00 0.00 N ATOM 145 CA ALA A 25 7.105 20.002 4.901 1.00 0.00 C ATOM 146 C ALA A 25 7.565 18.574 4.650 1.00 0.00 C ATOM 147 O ALA A 25 8.718 18.224 4.892 1.00 0.00 O ATOM 148 CB ALA A 25 5.915 20.018 5.854 1.00 0.00 C ATOM 0 H ALA A 25 6.832 20.021 2.825 1.00 0.00 H new ATOM 0 HA ALA A 25 7.915 20.562 5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.193 19.536 6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.619 21.049 6.050 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.081 19.481 5.403 1.00 0.00 H new ATOM 154 N LEU A 26 6.638 17.754 4.179 1.00 0.00 N ATOM 155 CA LEU A 26 6.950 16.396 3.744 1.00 0.00 C ATOM 156 C LEU A 26 6.556 16.193 2.282 1.00 0.00 C ATOM 157 O LEU A 26 6.909 15.194 1.659 1.00 0.00 O ATOM 158 CB LEU A 26 6.283 15.334 4.642 1.00 0.00 C ATOM 159 CG LEU A 26 4.859 15.614 5.184 1.00 0.00 C ATOM 160 CD1 LEU A 26 4.901 16.587 6.353 1.00 0.00 C ATOM 161 CD2 LEU A 26 3.918 16.132 4.106 1.00 0.00 C ATOM 0 H LEU A 26 5.654 18.006 4.087 1.00 0.00 H new ATOM 0 HA LEU A 26 8.028 16.266 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.246 14.400 4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.936 15.166 5.498 1.00 0.00 H new ATOM 0 HG LEU A 26 4.466 14.658 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.888 16.766 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.503 16.164 7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.342 17.529 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.934 16.312 4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.311 17.063 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.835 15.392 3.310 1.00 0.00 H new ATOM 173 N GLY A 27 5.818 17.161 1.749 1.00 0.00 N ATOM 174 CA GLY A 27 5.386 17.101 0.367 1.00 0.00 C ATOM 175 C GLY A 27 3.885 16.940 0.256 1.00 0.00 C ATOM 176 O GLY A 27 3.350 15.899 0.622 1.00 0.00 O ATOM 0 H GLY A 27 5.510 17.991 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.694 18.010 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.879 16.267 -0.133 1.00 0.00 H new ATOM 180 N ARG A 28 3.200 17.988 -0.208 1.00 0.00 N ATOM 181 CA ARG A 28 1.758 17.934 -0.409 1.00 0.00 C ATOM 182 C ARG A 28 1.386 16.789 -1.338 1.00 0.00 C ATOM 183 O ARG A 28 0.526 15.971 -1.022 1.00 0.00 O ATOM 184 CB ARG A 28 1.250 19.243 -1.007 1.00 0.00 C ATOM 185 CG ARG A 28 1.906 20.477 -0.425 1.00 0.00 C ATOM 186 CD ARG A 28 0.905 21.614 -0.278 1.00 0.00 C ATOM 187 NE ARG A 28 0.473 22.158 -1.567 1.00 0.00 N ATOM 188 CZ ARG A 28 -0.487 23.082 -1.702 1.00 0.00 C ATOM 189 NH1 ARG A 28 -1.122 23.551 -0.631 1.00 0.00 N ATOM 190 NH2 ARG A 28 -0.806 23.540 -2.907 1.00 0.00 N ATOM 0 H ARG A 28 3.625 18.883 -0.450 1.00 0.00 H new ATOM 0 HA ARG A 28 1.294 17.774 0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.417 19.228 -2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.173 19.308 -0.852 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.336 20.239 0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.728 20.793 -1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.034 21.257 0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.352 22.411 0.317 1.00 0.00 H new ATOM 0 HE ARG A 28 0.930 21.813 -2.411 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.878 23.207 0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.852 24.255 -0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.320 23.188 -3.732 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.537 24.244 -3.008 1.00 0.00 H new ATOM 204 N ASN A 29 2.035 16.749 -2.490 1.00 0.00 N ATOM 205 CA ASN A 29 1.791 15.706 -3.471 1.00 0.00 C ATOM 206 C ASN A 29 2.744 14.545 -3.230 1.00 0.00 C ATOM 207 O ASN A 29 3.802 14.719 -2.630 1.00 0.00 O ATOM 208 CB ASN A 29 1.951 16.242 -4.898 1.00 0.00 C ATOM 209 CG ASN A 29 3.359 16.730 -5.203 1.00 0.00 C ATOM 210 OD1 ASN A 29 4.046 17.279 -4.341 1.00 0.00 O ATOM 211 ND2 ASN A 29 3.800 16.525 -6.434 1.00 0.00 N ATOM 0 H ASN A 29 2.739 17.432 -2.769 1.00 0.00 H new ATOM 0 HA ASN A 29 0.764 15.358 -3.360 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.685 15.457 -5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.249 17.061 -5.052 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.739 16.825 -6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.201 16.067 -7.121 1.00 0.00 H new ATOM 218 N GLN A 30 2.362 13.367 -3.692 1.00 0.00 N ATOM 219 CA GLN A 30 3.086 12.156 -3.351 1.00 0.00 C ATOM 220 C GLN A 30 4.225 11.865 -4.335 1.00 0.00 C ATOM 221 O GLN A 30 4.017 11.702 -5.540 1.00 0.00 O ATOM 222 CB GLN A 30 2.121 10.960 -3.248 1.00 0.00 C ATOM 223 CG GLN A 30 1.685 10.355 -4.575 1.00 0.00 C ATOM 224 CD GLN A 30 0.964 11.337 -5.481 1.00 0.00 C ATOM 225 OE1 GLN A 30 0.277 12.249 -5.021 1.00 0.00 O ATOM 226 NE2 GLN A 30 1.134 11.165 -6.780 1.00 0.00 N ATOM 0 H GLN A 30 1.557 13.224 -4.302 1.00 0.00 H new ATOM 0 HA GLN A 30 3.546 12.315 -2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.597 10.181 -2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.232 11.278 -2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.562 9.970 -5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.031 9.505 -4.380 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.711 10.397 -7.121 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.688 11.801 -7.441 1.00 0.00 H new ATOM 235 N PRO A 31 5.454 11.853 -3.818 1.00 0.00 N ATOM 236 CA PRO A 31 6.628 11.382 -4.544 1.00 0.00 C ATOM 237 C PRO A 31 6.684 9.855 -4.585 1.00 0.00 C ATOM 238 O PRO A 31 5.676 9.186 -4.352 1.00 0.00 O ATOM 239 CB PRO A 31 7.816 11.938 -3.740 1.00 0.00 C ATOM 240 CG PRO A 31 7.226 12.777 -2.647 1.00 0.00 C ATOM 241 CD PRO A 31 5.806 12.341 -2.486 1.00 0.00 C ATOM 0 HA PRO A 31 6.624 11.711 -5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.419 11.129 -3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.472 12.532 -4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.779 12.644 -1.717 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.279 13.836 -2.901 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.707 11.560 -1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.164 13.166 -2.177 1.00 0.00 H new ATOM 249 N LEU A 32 7.856 9.321 -4.931 1.00 0.00 N ATOM 250 CA LEU A 32 8.125 7.883 -4.881 1.00 0.00 C ATOM 251 C LEU A 32 7.518 7.265 -3.622 1.00 0.00 C ATOM 252 O LEU A 32 7.853 7.674 -2.509 1.00 0.00 O ATOM 253 CB LEU A 32 9.652 7.671 -4.912 1.00 0.00 C ATOM 254 CG LEU A 32 10.152 6.234 -5.109 1.00 0.00 C ATOM 255 CD1 LEU A 32 11.595 6.251 -5.585 1.00 0.00 C ATOM 256 CD2 LEU A 32 10.055 5.431 -3.822 1.00 0.00 C ATOM 0 H LEU A 32 8.648 9.876 -5.255 1.00 0.00 H new ATOM 0 HA LEU A 32 7.668 7.391 -5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.063 8.285 -5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.065 8.048 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 32 9.518 5.759 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.945 5.228 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.660 6.787 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.217 6.750 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.417 4.418 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.662 5.905 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.016 5.393 -3.494 1.00 0.00 H new ATOM 268 N LYS A 33 6.615 6.291 -3.803 1.00 0.00 N ATOM 269 CA LYS A 33 5.936 5.675 -2.666 1.00 0.00 C ATOM 270 C LYS A 33 6.929 5.086 -1.669 1.00 0.00 C ATOM 271 O LYS A 33 7.750 4.236 -2.007 1.00 0.00 O ATOM 272 CB LYS A 33 4.886 4.611 -3.077 1.00 0.00 C ATOM 273 CG LYS A 33 5.135 3.835 -4.379 1.00 0.00 C ATOM 274 CD LYS A 33 6.529 3.219 -4.473 1.00 0.00 C ATOM 275 CE LYS A 33 6.616 1.848 -3.795 1.00 0.00 C ATOM 276 NZ LYS A 33 6.510 1.916 -2.310 1.00 0.00 N ATOM 0 H LYS A 33 6.344 5.920 -4.714 1.00 0.00 H new ATOM 0 HA LYS A 33 5.390 6.484 -2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.804 3.888 -2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.919 5.107 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.391 3.043 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.987 4.506 -5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.808 3.119 -5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.252 3.894 -4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.821 1.209 -4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.562 1.377 -4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.857 1.027 -1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.083 2.709 -1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.516 2.059 -2.039 1.00 0.00 H new ATOM 290 N LYS A 34 6.852 5.559 -0.444 1.00 0.00 N ATOM 291 CA LYS A 34 7.698 5.056 0.620 1.00 0.00 C ATOM 292 C LYS A 34 6.951 3.978 1.393 1.00 0.00 C ATOM 293 O LYS A 34 7.539 3.003 1.863 1.00 0.00 O ATOM 294 CB LYS A 34 8.108 6.210 1.530 1.00 0.00 C ATOM 295 CG LYS A 34 8.816 7.326 0.779 1.00 0.00 C ATOM 296 CD LYS A 34 10.204 6.901 0.329 1.00 0.00 C ATOM 297 CE LYS A 34 10.846 7.954 -0.556 1.00 0.00 C ATOM 298 NZ LYS A 34 12.208 7.550 -0.992 1.00 0.00 N ATOM 0 H LYS A 34 6.208 6.296 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 34 8.603 4.612 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.222 6.613 2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.763 5.833 2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.223 7.615 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.893 8.205 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.833 6.724 1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.139 5.958 -0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.219 8.125 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.902 8.899 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.615 8.294 -1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.813 7.411 -0.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.151 6.662 -1.530 1.00 0.00 H new ATOM 312 N GLU A 35 5.643 4.164 1.496 1.00 0.00 N ATOM 313 CA GLU A 35 4.764 3.174 2.093 1.00 0.00 C ATOM 314 C GLU A 35 4.330 2.149 1.053 1.00 0.00 C ATOM 315 O GLU A 35 4.562 2.305 -0.152 1.00 0.00 O ATOM 316 CB GLU A 35 3.519 3.839 2.693 1.00 0.00 C ATOM 317 CG GLU A 35 3.704 4.407 4.098 1.00 0.00 C ATOM 318 CD GLU A 35 4.899 5.329 4.243 1.00 0.00 C ATOM 319 OE1 GLU A 35 4.783 6.521 3.894 1.00 0.00 O ATOM 320 OE2 GLU A 35 5.953 4.860 4.722 1.00 0.00 O ATOM 0 H GLU A 35 5.164 5.003 1.169 1.00 0.00 H new ATOM 0 HA GLU A 35 5.319 2.674 2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.201 4.644 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.711 3.108 2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.803 4.952 4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.809 3.581 4.801 1.00 0.00 H new ATOM 327 N LYS A 36 3.700 1.102 1.547 1.00 0.00 N ATOM 328 CA LYS A 36 3.214 0.007 0.725 1.00 0.00 C ATOM 329 C LYS A 36 1.692 0.028 0.696 1.00 0.00 C ATOM 330 O LYS A 36 1.066 0.675 1.537 1.00 0.00 O ATOM 331 CB LYS A 36 3.723 -1.320 1.289 1.00 0.00 C ATOM 332 CG LYS A 36 5.238 -1.410 1.324 1.00 0.00 C ATOM 333 CD LYS A 36 5.717 -2.778 1.753 1.00 0.00 C ATOM 334 CE LYS A 36 7.193 -2.727 2.074 1.00 0.00 C ATOM 335 NZ LYS A 36 7.851 -4.049 1.908 1.00 0.00 N ATOM 0 H LYS A 36 3.508 0.984 2.542 1.00 0.00 H new ATOM 0 HA LYS A 36 3.584 0.119 -0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.334 -1.452 2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.330 -2.139 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.637 -1.180 0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.630 -0.658 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.157 -3.112 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.533 -3.503 0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.679 -1.998 1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.328 -2.382 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.862 -3.965 2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.406 -4.741 2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.746 -4.368 0.924 1.00 0.00 H new ATOM 349 N PRO A 37 1.070 -0.662 -0.279 1.00 0.00 N ATOM 350 CA PRO A 37 -0.386 -0.729 -0.360 1.00 0.00 C ATOM 351 C PRO A 37 -0.971 -1.354 0.901 1.00 0.00 C ATOM 352 O PRO A 37 -0.622 -2.476 1.270 1.00 0.00 O ATOM 353 CB PRO A 37 -0.657 -1.603 -1.584 1.00 0.00 C ATOM 354 CG PRO A 37 0.626 -1.655 -2.347 1.00 0.00 C ATOM 355 CD PRO A 37 1.728 -1.435 -1.347 1.00 0.00 C ATOM 0 HA PRO A 37 -0.845 0.256 -0.446 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.975 -2.602 -1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.457 -1.183 -2.194 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.742 -2.617 -2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.647 -0.889 -3.122 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.126 -2.378 -0.973 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.563 -0.887 -1.783 1.00 0.00 H new ATOM 363 N LYS A 38 -1.858 -0.632 1.560 1.00 0.00 N ATOM 364 CA LYS A 38 -2.292 -1.023 2.886 1.00 0.00 C ATOM 365 C LYS A 38 -3.708 -1.551 2.891 1.00 0.00 C ATOM 366 O LYS A 38 -4.658 -0.872 2.494 1.00 0.00 O ATOM 367 CB LYS A 38 -2.123 0.144 3.857 1.00 0.00 C ATOM 368 CG LYS A 38 -2.564 -0.124 5.294 1.00 0.00 C ATOM 369 CD LYS A 38 -4.071 0.019 5.486 1.00 0.00 C ATOM 370 CE LYS A 38 -4.580 1.364 4.987 1.00 0.00 C ATOM 371 NZ LYS A 38 -3.847 2.497 5.608 1.00 0.00 N ATOM 0 H LYS A 38 -2.288 0.221 1.202 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.659 -1.846 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.073 0.436 3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.687 0.995 3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.260 -1.131 5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.050 0.567 5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.583 -0.783 4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.315 -0.093 6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.474 1.413 3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.644 1.455 5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.461 2.969 6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.996 2.139 6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.570 3.177 4.871 1.00 0.00 H new ATOM 385 N TRP A 39 -3.794 -2.777 3.366 1.00 0.00 N ATOM 386 CA TRP A 39 -5.049 -3.513 3.542 1.00 0.00 C ATOM 387 C TRP A 39 -4.698 -4.965 3.901 1.00 0.00 C ATOM 388 O TRP A 39 -5.497 -5.884 3.738 1.00 0.00 O ATOM 389 CB TRP A 39 -5.866 -3.479 2.238 1.00 0.00 C ATOM 390 CG TRP A 39 -5.426 -4.525 1.248 1.00 0.00 C ATOM 391 CD1 TRP A 39 -4.205 -4.614 0.640 1.00 0.00 C ATOM 392 CD2 TRP A 39 -6.188 -5.645 0.781 1.00 0.00 C ATOM 393 NE1 TRP A 39 -4.167 -5.715 -0.178 1.00 0.00 N ATOM 394 CE2 TRP A 39 -5.370 -6.362 -0.112 1.00 0.00 C ATOM 395 CE3 TRP A 39 -7.480 -6.111 1.028 1.00 0.00 C ATOM 396 CZ2 TRP A 39 -5.803 -7.516 -0.757 1.00 0.00 C ATOM 397 CZ3 TRP A 39 -7.907 -7.258 0.390 1.00 0.00 C ATOM 398 CH2 TRP A 39 -7.071 -7.949 -0.495 1.00 0.00 C ATOM 0 H TRP A 39 -2.974 -3.312 3.651 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.646 -3.059 4.333 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.921 -3.626 2.471 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.775 -2.493 1.783 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.390 -3.920 0.783 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.370 -6.004 -0.744 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.134 -5.583 1.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.159 -8.050 -1.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -8.904 -7.629 0.577 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -7.436 -8.842 -0.980 1.00 0.00 H new ATOM 409 N LYS A 40 -3.508 -5.142 4.456 1.00 0.00 N ATOM 410 CA LYS A 40 -2.793 -6.403 4.347 1.00 0.00 C ATOM 411 C LYS A 40 -2.089 -6.728 5.662 1.00 0.00 C ATOM 412 O LYS A 40 -1.730 -5.825 6.420 1.00 0.00 O ATOM 413 CB LYS A 40 -1.798 -6.257 3.177 1.00 0.00 C ATOM 414 CG LYS A 40 -1.100 -7.535 2.734 1.00 0.00 C ATOM 415 CD LYS A 40 0.120 -7.827 3.577 1.00 0.00 C ATOM 416 CE LYS A 40 1.138 -6.704 3.467 1.00 0.00 C ATOM 417 NZ LYS A 40 2.296 -6.903 4.379 1.00 0.00 N ATOM 0 H LYS A 40 -3.016 -4.424 4.988 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.473 -7.232 4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.331 -5.842 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.037 -5.530 3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.796 -8.371 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.807 -7.446 1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.175 -7.955 4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.572 -8.766 3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.495 -6.639 2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.655 -5.754 3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.623 -5.981 4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.008 -7.498 5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.069 -7.369 3.862 1.00 0.00 H new ATOM 431 N SER A 41 -1.889 -8.017 5.908 1.00 0.00 N ATOM 432 CA SER A 41 -1.285 -8.501 7.143 1.00 0.00 C ATOM 433 C SER A 41 0.161 -8.036 7.276 1.00 0.00 C ATOM 434 O SER A 41 0.973 -8.230 6.373 1.00 0.00 O ATOM 435 CB SER A 41 -1.317 -10.030 7.152 1.00 0.00 C ATOM 436 OG SER A 41 -2.645 -10.510 7.029 1.00 0.00 O ATOM 0 H SER A 41 -2.142 -8.758 5.255 1.00 0.00 H new ATOM 0 HA SER A 41 -1.855 -8.098 7.980 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.710 -10.415 6.333 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.876 -10.401 8.077 1.00 0.00 H new ATOM 0 HG SER A 41 -2.641 -11.490 7.035 1.00 0.00 H new ATOM 442 N ASP A 42 0.465 -7.422 8.411 1.00 0.00 N ATOM 443 CA ASP A 42 1.824 -7.007 8.728 1.00 0.00 C ATOM 444 C ASP A 42 2.733 -8.223 8.794 1.00 0.00 C ATOM 445 O ASP A 42 3.931 -8.136 8.520 1.00 0.00 O ATOM 446 CB ASP A 42 1.857 -6.261 10.063 1.00 0.00 C ATOM 447 CG ASP A 42 1.069 -4.970 10.028 1.00 0.00 C ATOM 448 OD1 ASP A 42 1.638 -3.935 9.619 1.00 0.00 O ATOM 449 OD2 ASP A 42 -0.122 -4.985 10.409 1.00 0.00 O ATOM 0 H ASP A 42 -0.219 -7.199 9.134 1.00 0.00 H new ATOM 0 HA ASP A 42 2.176 -6.336 7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.456 -6.906 10.845 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.892 -6.044 10.328 1.00 0.00 H new ATOM 454 N TYR A 43 2.146 -9.351 9.170 1.00 0.00 N ATOM 455 CA TYR A 43 2.838 -10.630 9.160 1.00 0.00 C ATOM 456 C TYR A 43 1.848 -11.748 8.844 1.00 0.00 C ATOM 457 O TYR A 43 1.132 -12.223 9.730 1.00 0.00 O ATOM 458 CB TYR A 43 3.513 -10.892 10.510 1.00 0.00 C ATOM 459 CG TYR A 43 4.344 -12.163 10.549 1.00 0.00 C ATOM 460 CD1 TYR A 43 3.777 -13.379 10.921 1.00 0.00 C ATOM 461 CD2 TYR A 43 5.692 -12.148 10.213 1.00 0.00 C ATOM 462 CE1 TYR A 43 4.530 -14.538 10.954 1.00 0.00 C ATOM 463 CE2 TYR A 43 6.451 -13.305 10.246 1.00 0.00 C ATOM 464 CZ TYR A 43 5.863 -14.497 10.613 1.00 0.00 C ATOM 465 OH TYR A 43 6.613 -15.652 10.646 1.00 0.00 O ATOM 0 H TYR A 43 1.179 -9.404 9.490 1.00 0.00 H new ATOM 0 HA TYR A 43 3.610 -10.603 8.391 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.153 -10.044 10.755 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.747 -10.947 11.283 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.731 -13.418 11.188 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.156 -11.217 9.921 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.074 -15.472 11.246 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.499 -13.274 9.986 1.00 0.00 H new ATOM 0 HH TYR A 43 7.534 -15.452 10.377 1.00 0.00 H new ATOM 475 N PRO A 44 1.760 -12.154 7.573 1.00 0.00 N ATOM 476 CA PRO A 44 0.900 -13.258 7.156 1.00 0.00 C ATOM 477 C PRO A 44 1.463 -14.607 7.581 1.00 0.00 C ATOM 478 O PRO A 44 2.636 -14.909 7.341 1.00 0.00 O ATOM 479 CB PRO A 44 0.866 -13.150 5.629 1.00 0.00 C ATOM 480 CG PRO A 44 1.544 -11.865 5.294 1.00 0.00 C ATOM 481 CD PRO A 44 2.475 -11.573 6.435 1.00 0.00 C ATOM 0 HA PRO A 44 -0.088 -13.195 7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.378 -13.994 5.166 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.160 -13.158 5.260 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.092 -11.947 4.355 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.817 -11.062 5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.453 -12.033 6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.641 -10.503 6.562 1.00 0.00 H new ATOM 489 N MET A 45 0.626 -15.400 8.225 1.00 0.00 N ATOM 490 CA MET A 45 1.028 -16.711 8.707 1.00 0.00 C ATOM 491 C MET A 45 0.681 -17.794 7.698 1.00 0.00 C ATOM 492 O MET A 45 1.508 -18.180 6.878 1.00 0.00 O ATOM 493 CB MET A 45 0.361 -17.017 10.046 1.00 0.00 C ATOM 494 CG MET A 45 0.909 -16.200 11.199 1.00 0.00 C ATOM 495 SD MET A 45 0.014 -16.491 12.735 1.00 0.00 S ATOM 496 CE MET A 45 0.295 -18.246 12.967 1.00 0.00 C ATOM 0 H MET A 45 -0.344 -15.157 8.428 1.00 0.00 H new ATOM 0 HA MET A 45 2.109 -16.699 8.843 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.710 -16.834 9.959 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.486 -18.076 10.271 1.00 0.00 H new ATOM 0 HG2 MET A 45 1.962 -16.442 11.344 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.857 -15.141 10.947 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.477 -18.449 14.022 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.583 -18.802 12.637 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.162 -18.556 12.383 1.00 0.00 H new ATOM 506 N THR A 46 -0.549 -18.277 7.764 1.00 0.00 N ATOM 507 CA THR A 46 -0.997 -19.331 6.877 1.00 0.00 C ATOM 508 C THR A 46 -2.096 -18.819 5.956 1.00 0.00 C ATOM 509 O THR A 46 -2.472 -17.646 6.031 1.00 0.00 O ATOM 510 CB THR A 46 -1.509 -20.541 7.677 1.00 0.00 C ATOM 511 OG1 THR A 46 -2.594 -20.145 8.526 1.00 0.00 O ATOM 512 CG2 THR A 46 -0.389 -21.134 8.524 1.00 0.00 C ATOM 0 H THR A 46 -1.255 -17.953 8.425 1.00 0.00 H new ATOM 0 HA THR A 46 -0.146 -19.648 6.275 1.00 0.00 H new ATOM 0 HB THR A 46 -1.857 -21.297 6.973 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.915 -20.922 9.030 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.769 -21.989 9.083 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.425 -21.458 7.876 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.021 -20.380 9.220 1.00 0.00 H new ATOM 520 N ASP A 47 -2.630 -19.691 5.111 1.00 0.00 N ATOM 521 CA ASP A 47 -3.682 -19.292 4.187 1.00 0.00 C ATOM 522 C ASP A 47 -4.968 -18.994 4.946 1.00 0.00 C ATOM 523 O ASP A 47 -5.730 -18.100 4.571 1.00 0.00 O ATOM 524 CB ASP A 47 -3.914 -20.374 3.127 1.00 0.00 C ATOM 525 CG ASP A 47 -4.452 -21.667 3.700 1.00 0.00 C ATOM 526 OD1 ASP A 47 -3.701 -22.369 4.413 1.00 0.00 O ATOM 527 OD2 ASP A 47 -5.622 -22.000 3.423 1.00 0.00 O ATOM 0 H ASP A 47 -2.355 -20.671 5.046 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.365 -18.383 3.676 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.613 -19.997 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.975 -20.576 2.612 1.00 0.00 H new ATOM 532 N GLY A 48 -5.191 -19.727 6.037 1.00 0.00 N ATOM 533 CA GLY A 48 -6.345 -19.481 6.879 1.00 0.00 C ATOM 534 C GLY A 48 -6.291 -18.106 7.512 1.00 0.00 C ATOM 535 O GLY A 48 -7.310 -17.425 7.631 1.00 0.00 O ATOM 0 H GLY A 48 -4.589 -20.488 6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.255 -19.574 6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.395 -20.240 7.660 1.00 0.00 H new ATOM 539 N GLN A 49 -5.092 -17.693 7.899 1.00 0.00 N ATOM 540 CA GLN A 49 -4.883 -16.367 8.460 1.00 0.00 C ATOM 541 C GLN A 49 -5.030 -15.313 7.380 1.00 0.00 C ATOM 542 O GLN A 49 -5.633 -14.268 7.599 1.00 0.00 O ATOM 543 CB GLN A 49 -3.497 -16.264 9.090 1.00 0.00 C ATOM 544 CG GLN A 49 -3.298 -17.211 10.253 1.00 0.00 C ATOM 545 CD GLN A 49 -4.182 -16.875 11.431 1.00 0.00 C ATOM 546 OE1 GLN A 49 -5.294 -17.388 11.555 1.00 0.00 O ATOM 547 NE2 GLN A 49 -3.702 -15.997 12.295 1.00 0.00 N ATOM 0 H GLN A 49 -4.247 -18.260 7.834 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.635 -16.200 9.231 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.743 -16.469 8.330 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.335 -15.241 9.431 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.505 -18.230 9.927 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.254 -17.182 10.566 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.775 -15.597 12.153 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.259 -15.720 13.103 1.00 0.00 H new ATOM 556 N LEU A 50 -4.480 -15.609 6.211 1.00 0.00 N ATOM 557 CA LEU A 50 -4.522 -14.686 5.084 1.00 0.00 C ATOM 558 C LEU A 50 -5.969 -14.339 4.731 1.00 0.00 C ATOM 559 O LEU A 50 -6.320 -13.167 4.623 1.00 0.00 O ATOM 560 CB LEU A 50 -3.794 -15.301 3.876 1.00 0.00 C ATOM 561 CG LEU A 50 -3.235 -14.309 2.840 1.00 0.00 C ATOM 562 CD1 LEU A 50 -4.349 -13.611 2.076 1.00 0.00 C ATOM 563 CD2 LEU A 50 -2.330 -13.286 3.512 1.00 0.00 C ATOM 0 H LEU A 50 -3.997 -16.486 6.017 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.013 -13.763 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.969 -15.910 4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.484 -15.975 3.367 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.647 -14.880 2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.916 -12.919 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.951 -14.353 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.979 -13.060 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.945 -12.594 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.899 -12.733 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.498 -13.798 3.995 1.00 0.00 H new ATOM 575 N ARG A 51 -6.812 -15.356 4.572 1.00 0.00 N ATOM 576 CA ARG A 51 -8.217 -15.136 4.219 1.00 0.00 C ATOM 577 C ARG A 51 -8.979 -14.434 5.343 1.00 0.00 C ATOM 578 O ARG A 51 -9.772 -13.519 5.090 1.00 0.00 O ATOM 579 CB ARG A 51 -8.908 -16.459 3.861 1.00 0.00 C ATOM 580 CG ARG A 51 -8.772 -17.532 4.926 1.00 0.00 C ATOM 581 CD ARG A 51 -9.609 -18.762 4.610 1.00 0.00 C ATOM 582 NE ARG A 51 -11.030 -18.549 4.894 1.00 0.00 N ATOM 583 CZ ARG A 51 -11.852 -19.499 5.356 1.00 0.00 C ATOM 584 NH1 ARG A 51 -11.426 -20.748 5.497 1.00 0.00 N ATOM 585 NH2 ARG A 51 -13.111 -19.203 5.658 1.00 0.00 N ATOM 0 H ARG A 51 -6.551 -16.336 4.681 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.229 -14.485 3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.967 -16.268 3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.491 -16.834 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.725 -17.820 5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.076 -17.125 5.890 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.485 -19.024 3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.246 -19.607 5.194 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.417 -17.620 4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.466 -20.990 5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.059 -21.466 5.850 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.454 -18.250 5.538 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.735 -19.929 6.010 1.00 0.00 H new ATOM 599 N SER A 52 -8.735 -14.854 6.581 1.00 0.00 N ATOM 600 CA SER A 52 -9.429 -14.283 7.726 1.00 0.00 C ATOM 601 C SER A 52 -9.044 -12.820 7.901 1.00 0.00 C ATOM 602 O SER A 52 -9.906 -11.942 7.968 1.00 0.00 O ATOM 603 CB SER A 52 -9.101 -15.075 8.997 1.00 0.00 C ATOM 604 OG SER A 52 -9.881 -14.635 10.098 1.00 0.00 O ATOM 0 H SER A 52 -8.064 -15.586 6.814 1.00 0.00 H new ATOM 0 HA SER A 52 -10.503 -14.342 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.281 -16.136 8.823 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.042 -14.966 9.232 1.00 0.00 H new ATOM 0 HG SER A 52 -9.650 -15.160 10.893 1.00 0.00 H new ATOM 610 N LYS A 53 -7.744 -12.564 7.943 1.00 0.00 N ATOM 611 CA LYS A 53 -7.236 -11.213 8.119 1.00 0.00 C ATOM 612 C LYS A 53 -7.647 -10.332 6.943 1.00 0.00 C ATOM 613 O LYS A 53 -7.936 -9.151 7.121 1.00 0.00 O ATOM 614 CB LYS A 53 -5.713 -11.237 8.262 1.00 0.00 C ATOM 615 CG LYS A 53 -5.177 -10.215 9.252 1.00 0.00 C ATOM 616 CD LYS A 53 -5.698 -10.472 10.657 1.00 0.00 C ATOM 617 CE LYS A 53 -5.246 -11.828 11.187 1.00 0.00 C ATOM 618 NZ LYS A 53 -5.851 -12.135 12.510 1.00 0.00 N ATOM 0 H LYS A 53 -7.020 -13.278 7.857 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.665 -10.794 9.029 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.402 -12.233 8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.262 -11.056 7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.087 -10.247 9.256 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.465 -9.213 8.934 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.347 -9.685 11.325 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.787 -10.427 10.655 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.518 -12.606 10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.159 -11.841 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.519 -13.065 12.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.571 -11.407 13.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.887 -12.148 12.423 1.00 0.00 H new ATOM 632 N ARG A 54 -7.689 -10.922 5.748 1.00 0.00 N ATOM 633 CA ARG A 54 -8.096 -10.203 4.542 1.00 0.00 C ATOM 634 C ARG A 54 -9.487 -9.603 4.710 1.00 0.00 C ATOM 635 O ARG A 54 -9.707 -8.438 4.393 1.00 0.00 O ATOM 636 CB ARG A 54 -8.097 -11.134 3.327 1.00 0.00 C ATOM 637 CG ARG A 54 -8.446 -10.430 2.024 1.00 0.00 C ATOM 638 CD ARG A 54 -8.769 -11.419 0.912 1.00 0.00 C ATOM 639 NE ARG A 54 -7.626 -12.262 0.555 1.00 0.00 N ATOM 640 CZ ARG A 54 -7.575 -13.001 -0.558 1.00 0.00 C ATOM 641 NH1 ARG A 54 -8.590 -12.987 -1.410 1.00 0.00 N ATOM 642 NH2 ARG A 54 -6.508 -13.749 -0.820 1.00 0.00 N ATOM 0 H ARG A 54 -7.445 -11.900 5.590 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.375 -9.401 4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.113 -11.594 3.230 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.810 -11.940 3.498 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.300 -9.773 2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.612 -9.799 1.718 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.599 -12.053 1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.101 -10.872 0.030 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.827 -12.287 1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.410 -12.412 -1.217 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.551 -13.551 -2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.722 -13.761 -0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.475 -14.311 -1.671 1.00 0.00 H new ATOM 656 N ASP A 55 -10.420 -10.405 5.211 1.00 0.00 N ATOM 657 CA ASP A 55 -11.797 -9.967 5.376 1.00 0.00 C ATOM 658 C ASP A 55 -11.898 -8.887 6.444 1.00 0.00 C ATOM 659 O ASP A 55 -12.562 -7.864 6.253 1.00 0.00 O ATOM 660 CB ASP A 55 -12.661 -11.156 5.762 1.00 0.00 C ATOM 661 CG ASP A 55 -14.126 -10.794 5.907 1.00 0.00 C ATOM 662 OD1 ASP A 55 -14.755 -10.433 4.890 1.00 0.00 O ATOM 663 OD2 ASP A 55 -14.664 -10.902 7.027 1.00 0.00 O ATOM 0 H ASP A 55 -10.245 -11.364 5.510 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.146 -9.548 4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.557 -11.935 5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.299 -11.572 6.702 1.00 0.00 H new ATOM 668 N GLU A 56 -11.235 -9.135 7.567 1.00 0.00 N ATOM 669 CA GLU A 56 -11.148 -8.159 8.651 1.00 0.00 C ATOM 670 C GLU A 56 -10.633 -6.820 8.134 1.00 0.00 C ATOM 671 O GLU A 56 -11.223 -5.768 8.396 1.00 0.00 O ATOM 672 CB GLU A 56 -10.224 -8.678 9.753 1.00 0.00 C ATOM 673 CG GLU A 56 -10.765 -9.901 10.474 1.00 0.00 C ATOM 674 CD GLU A 56 -12.006 -9.594 11.286 1.00 0.00 C ATOM 675 OE1 GLU A 56 -13.116 -9.618 10.722 1.00 0.00 O ATOM 676 OE2 GLU A 56 -11.874 -9.317 12.501 1.00 0.00 O ATOM 0 H GLU A 56 -10.746 -10.010 7.753 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.148 -8.012 9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.255 -8.922 9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.056 -7.883 10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.995 -10.677 9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.994 -10.301 11.132 1.00 0.00 H new ATOM 683 N PHE A 57 -9.533 -6.868 7.391 1.00 0.00 N ATOM 684 CA PHE A 57 -8.973 -5.673 6.782 1.00 0.00 C ATOM 685 C PHE A 57 -9.937 -5.069 5.776 1.00 0.00 C ATOM 686 O PHE A 57 -10.118 -3.864 5.754 1.00 0.00 O ATOM 687 CB PHE A 57 -7.645 -5.977 6.095 1.00 0.00 C ATOM 688 CG PHE A 57 -6.458 -5.909 7.013 1.00 0.00 C ATOM 689 CD1 PHE A 57 -6.010 -4.685 7.482 1.00 0.00 C ATOM 690 CD2 PHE A 57 -5.787 -7.055 7.399 1.00 0.00 C ATOM 691 CE1 PHE A 57 -4.916 -4.606 8.318 1.00 0.00 C ATOM 692 CE2 PHE A 57 -4.693 -6.982 8.238 1.00 0.00 C ATOM 693 CZ PHE A 57 -4.257 -5.755 8.699 1.00 0.00 C ATOM 0 H PHE A 57 -9.013 -7.724 7.197 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.800 -4.953 7.582 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.695 -6.972 5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.500 -5.272 5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.524 -3.781 7.189 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.122 -8.017 7.040 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.576 -3.645 8.674 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.178 -7.884 8.534 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.402 -5.696 9.356 1.00 0.00 H new ATOM 703 N TRP A 58 -10.548 -5.913 4.947 1.00 0.00 N ATOM 704 CA TRP A 58 -11.524 -5.461 3.946 1.00 0.00 C ATOM 705 C TRP A 58 -12.591 -4.545 4.549 1.00 0.00 C ATOM 706 O TRP A 58 -13.039 -3.594 3.904 1.00 0.00 O ATOM 707 CB TRP A 58 -12.209 -6.648 3.257 1.00 0.00 C ATOM 708 CG TRP A 58 -11.720 -6.901 1.864 1.00 0.00 C ATOM 709 CD1 TRP A 58 -11.442 -8.110 1.301 1.00 0.00 C ATOM 710 CD2 TRP A 58 -11.446 -5.919 0.856 1.00 0.00 C ATOM 711 NE1 TRP A 58 -11.021 -7.943 0.003 1.00 0.00 N ATOM 712 CE2 TRP A 58 -11.013 -6.605 -0.291 1.00 0.00 C ATOM 713 CE3 TRP A 58 -11.526 -4.526 0.813 1.00 0.00 C ATOM 714 CZ2 TRP A 58 -10.663 -5.946 -1.469 1.00 0.00 C ATOM 715 CZ3 TRP A 58 -11.176 -3.875 -0.351 1.00 0.00 C ATOM 716 CH2 TRP A 58 -10.750 -4.581 -1.478 1.00 0.00 C ATOM 0 H TRP A 58 -10.386 -6.920 4.946 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.959 -4.892 3.208 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -12.051 -7.545 3.856 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -13.284 -6.469 3.228 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -11.538 -9.062 1.802 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.758 -8.693 -0.637 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -11.856 -3.968 1.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -10.336 -6.493 -2.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -11.232 -2.797 -0.392 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.484 -4.039 -2.374 1.00 0.00 H new ATOM 727 N ASP A 59 -12.992 -4.826 5.781 1.00 0.00 N ATOM 728 CA ASP A 59 -13.990 -4.008 6.463 1.00 0.00 C ATOM 729 C ASP A 59 -13.440 -2.636 6.832 1.00 0.00 C ATOM 730 O ASP A 59 -14.194 -1.672 6.964 1.00 0.00 O ATOM 731 CB ASP A 59 -14.500 -4.700 7.718 1.00 0.00 C ATOM 732 CG ASP A 59 -15.428 -5.857 7.411 1.00 0.00 C ATOM 733 OD1 ASP A 59 -16.209 -5.756 6.443 1.00 0.00 O ATOM 734 OD2 ASP A 59 -15.398 -6.861 8.146 1.00 0.00 O ATOM 0 H ASP A 59 -12.643 -5.612 6.329 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.816 -3.874 5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.652 -5.064 8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.024 -3.975 8.341 1.00 0.00 H new ATOM 739 N THR A 60 -12.131 -2.552 7.002 1.00 0.00 N ATOM 740 CA THR A 60 -11.484 -1.289 7.331 1.00 0.00 C ATOM 741 C THR A 60 -10.955 -0.631 6.058 1.00 0.00 C ATOM 742 O THR A 60 -10.782 0.587 5.981 1.00 0.00 O ATOM 743 CB THR A 60 -10.324 -1.517 8.317 1.00 0.00 C ATOM 744 OG1 THR A 60 -10.750 -2.418 9.348 1.00 0.00 O ATOM 745 CG2 THR A 60 -9.869 -0.205 8.946 1.00 0.00 C ATOM 0 H THR A 60 -11.493 -3.344 6.918 1.00 0.00 H new ATOM 0 HA THR A 60 -12.219 -0.634 7.800 1.00 0.00 H new ATOM 0 HB THR A 60 -9.484 -1.942 7.768 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.013 -2.567 9.977 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.049 -0.398 9.638 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.532 0.476 8.164 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.701 0.247 9.487 1.00 0.00 H new ATOM 753 N ALA A 61 -10.710 -1.465 5.056 1.00 0.00 N ATOM 754 CA ALA A 61 -10.234 -1.015 3.763 1.00 0.00 C ATOM 755 C ALA A 61 -11.315 -0.222 3.047 1.00 0.00 C ATOM 756 O ALA A 61 -12.500 -0.348 3.352 1.00 0.00 O ATOM 757 CB ALA A 61 -9.803 -2.200 2.917 1.00 0.00 C ATOM 0 H ALA A 61 -10.837 -2.475 5.121 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.372 -0.366 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.448 -1.846 1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.001 -2.736 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.650 -2.870 2.770 1.00 0.00 H new ATOM 763 N PRO A 62 -10.912 0.601 2.076 1.00 0.00 N ATOM 764 CA PRO A 62 -11.812 1.527 1.394 1.00 0.00 C ATOM 765 C PRO A 62 -12.595 0.864 0.267 1.00 0.00 C ATOM 766 O PRO A 62 -13.521 1.451 -0.296 1.00 0.00 O ATOM 767 CB PRO A 62 -10.824 2.546 0.851 1.00 0.00 C ATOM 768 CG PRO A 62 -9.678 1.709 0.438 1.00 0.00 C ATOM 769 CD PRO A 62 -9.531 0.707 1.546 1.00 0.00 C ATOM 0 HA PRO A 62 -12.587 1.937 2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.240 3.104 0.012 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.539 3.276 1.609 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.867 1.220 -0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.773 2.305 0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.164 -0.251 1.179 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.830 1.046 2.308 1.00 0.00 H new ATOM 777 N ALA A 63 -12.203 -0.371 -0.048 1.00 0.00 N ATOM 778 CA ALA A 63 -12.804 -1.140 -1.129 1.00 0.00 C ATOM 779 C ALA A 63 -12.652 -0.415 -2.462 1.00 0.00 C ATOM 780 O ALA A 63 -11.615 0.192 -2.729 1.00 0.00 O ATOM 781 CB ALA A 63 -14.268 -1.446 -0.827 1.00 0.00 C ATOM 0 H ALA A 63 -11.457 -0.864 0.443 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.275 -2.090 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.696 -2.021 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.336 -2.023 0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.819 -0.512 -0.712 1.00 0.00 H new ATOM 787 N PHE A 64 -13.675 -0.485 -3.296 1.00 0.00 N ATOM 788 CA PHE A 64 -13.658 0.178 -4.586 1.00 0.00 C ATOM 789 C PHE A 64 -14.506 1.440 -4.530 1.00 0.00 C ATOM 790 O PHE A 64 -14.647 2.156 -5.522 1.00 0.00 O ATOM 791 CB PHE A 64 -14.197 -0.768 -5.652 1.00 0.00 C ATOM 792 CG PHE A 64 -13.497 -2.099 -5.678 1.00 0.00 C ATOM 793 CD1 PHE A 64 -12.216 -2.210 -6.185 1.00 0.00 C ATOM 794 CD2 PHE A 64 -14.125 -3.238 -5.196 1.00 0.00 C ATOM 795 CE1 PHE A 64 -11.570 -3.431 -6.213 1.00 0.00 C ATOM 796 CE2 PHE A 64 -13.483 -4.462 -5.220 1.00 0.00 C ATOM 797 CZ PHE A 64 -12.202 -4.560 -5.731 1.00 0.00 C ATOM 0 H PHE A 64 -14.534 -0.999 -3.099 1.00 0.00 H new ATOM 0 HA PHE A 64 -12.634 0.454 -4.837 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -15.261 -0.929 -5.480 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -14.100 -0.295 -6.629 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -11.714 -1.332 -6.564 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -15.126 -3.168 -4.798 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -10.569 -3.502 -6.613 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -13.982 -5.341 -4.840 1.00 0.00 H new ATOM 0 HZ PHE A 64 -11.698 -5.515 -5.753 1.00 0.00 H new ATOM 807 N GLU A 65 -15.073 1.699 -3.357 1.00 0.00 N ATOM 808 CA GLU A 65 -15.998 2.810 -3.170 1.00 0.00 C ATOM 809 C GLU A 65 -15.298 4.158 -3.281 1.00 0.00 C ATOM 810 O GLU A 65 -14.077 4.257 -3.164 1.00 0.00 O ATOM 811 CB GLU A 65 -16.699 2.706 -1.816 1.00 0.00 C ATOM 812 CG GLU A 65 -17.541 1.453 -1.662 1.00 0.00 C ATOM 813 CD GLU A 65 -18.497 1.542 -0.496 1.00 0.00 C ATOM 814 OE1 GLU A 65 -18.081 1.261 0.644 1.00 0.00 O ATOM 815 OE2 GLU A 65 -19.678 1.886 -0.725 1.00 0.00 O ATOM 0 H GLU A 65 -14.906 1.149 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.738 2.746 -3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -15.949 2.729 -1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.335 3.580 -1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -18.105 1.283 -2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.886 0.593 -1.526 1.00 0.00 H new ATOM 822 N GLY A 66 -16.091 5.188 -3.510 1.00 0.00 N ATOM 823 CA GLY A 66 -15.564 6.523 -3.662 1.00 0.00 C ATOM 824 C GLY A 66 -15.966 7.130 -4.979 1.00 0.00 C ATOM 825 O GLY A 66 -16.657 6.494 -5.778 1.00 0.00 O ATOM 0 H GLY A 66 -17.105 5.121 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -15.922 7.151 -2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.477 6.496 -3.590 1.00 0.00 H new ATOM 829 N ARG A 67 -15.547 8.363 -5.204 1.00 0.00 N ATOM 830 CA ARG A 67 -15.813 9.039 -6.461 1.00 0.00 C ATOM 831 C ARG A 67 -15.079 8.346 -7.597 1.00 0.00 C ATOM 832 O ARG A 67 -13.854 8.414 -7.694 1.00 0.00 O ATOM 833 CB ARG A 67 -15.399 10.505 -6.396 1.00 0.00 C ATOM 834 CG ARG A 67 -16.301 11.351 -5.517 1.00 0.00 C ATOM 835 CD ARG A 67 -16.248 12.800 -5.949 1.00 0.00 C ATOM 836 NE ARG A 67 -17.185 13.641 -5.212 1.00 0.00 N ATOM 837 CZ ARG A 67 -17.931 14.584 -5.782 1.00 0.00 C ATOM 838 NH1 ARG A 67 -17.974 14.692 -7.106 1.00 0.00 N ATOM 839 NH2 ARG A 67 -18.672 15.383 -5.034 1.00 0.00 N ATOM 0 H ARG A 67 -15.019 8.918 -4.530 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.886 8.993 -6.645 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -14.377 10.569 -6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.396 10.918 -7.405 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.326 10.984 -5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.991 11.264 -4.476 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.236 13.180 -5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -16.468 12.866 -7.015 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.273 13.499 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.434 14.051 -7.688 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -18.547 15.416 -7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -18.672 15.277 -4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.244 16.106 -5.471 1.00 0.00 H new ATOM 853 N LYS A 68 -15.837 7.685 -8.461 1.00 0.00 N ATOM 854 CA LYS A 68 -15.263 6.967 -9.593 1.00 0.00 C ATOM 855 C LYS A 68 -14.603 7.956 -10.547 1.00 0.00 C ATOM 856 O LYS A 68 -13.711 7.598 -11.321 1.00 0.00 O ATOM 857 CB LYS A 68 -16.341 6.168 -10.328 1.00 0.00 C ATOM 858 CG LYS A 68 -17.167 5.256 -9.432 1.00 0.00 C ATOM 859 CD LYS A 68 -16.347 4.106 -8.875 1.00 0.00 C ATOM 860 CE LYS A 68 -17.171 3.255 -7.927 1.00 0.00 C ATOM 861 NZ LYS A 68 -16.437 2.042 -7.488 1.00 0.00 N ATOM 0 H LYS A 68 -16.854 7.630 -8.400 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.513 6.269 -9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.010 6.864 -10.834 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.865 5.564 -11.101 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.582 5.837 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.010 4.859 -9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.977 3.489 -9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.475 4.498 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.447 3.847 -7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.098 2.960 -8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.091 1.399 -6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.035 1.560 -8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.670 2.315 -6.841 1.00 0.00 H new ATOM 875 N GLU A 69 -15.065 9.200 -10.471 1.00 0.00 N ATOM 876 CA GLU A 69 -14.486 10.312 -11.210 1.00 0.00 C ATOM 877 C GLU A 69 -12.982 10.402 -10.974 1.00 0.00 C ATOM 878 O GLU A 69 -12.192 10.417 -11.921 1.00 0.00 O ATOM 879 CB GLU A 69 -15.153 11.599 -10.746 1.00 0.00 C ATOM 880 CG GLU A 69 -16.657 11.480 -10.696 1.00 0.00 C ATOM 881 CD GLU A 69 -17.327 12.710 -10.126 1.00 0.00 C ATOM 882 OE1 GLU A 69 -17.531 13.683 -10.872 1.00 0.00 O ATOM 883 OE2 GLU A 69 -17.654 12.697 -8.919 1.00 0.00 O ATOM 0 H GLU A 69 -15.859 9.465 -9.889 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.651 10.157 -12.276 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.779 11.863 -9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.877 12.411 -11.419 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.036 11.300 -11.702 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.928 10.613 -10.093 1.00 0.00 H new ATOM 890 N ILE A 70 -12.593 10.452 -9.704 1.00 0.00 N ATOM 891 CA ILE A 70 -11.188 10.547 -9.348 1.00 0.00 C ATOM 892 C ILE A 70 -10.534 9.166 -9.360 1.00 0.00 C ATOM 893 O ILE A 70 -9.326 9.048 -9.576 1.00 0.00 O ATOM 894 CB ILE A 70 -10.973 11.224 -7.974 1.00 0.00 C ATOM 895 CG1 ILE A 70 -9.470 11.404 -7.728 1.00 0.00 C ATOM 896 CG2 ILE A 70 -11.636 10.437 -6.846 1.00 0.00 C ATOM 897 CD1 ILE A 70 -9.020 11.118 -6.315 1.00 0.00 C ATOM 0 H ILE A 70 -13.231 10.428 -8.909 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.714 11.177 -10.101 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.450 12.204 -7.987 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.924 10.749 -8.408 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.195 12.428 -7.982 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.462 10.945 -5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.708 10.370 -7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.211 9.434 -6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.944 11.272 -6.238 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.533 11.790 -5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.258 10.086 -6.059 1.00 0.00 H new ATOM 909 N TRP A 71 -11.340 8.123 -9.152 1.00 0.00 N ATOM 910 CA TRP A 71 -10.846 6.746 -9.186 1.00 0.00 C ATOM 911 C TRP A 71 -10.085 6.472 -10.468 1.00 0.00 C ATOM 912 O TRP A 71 -9.089 5.750 -10.462 1.00 0.00 O ATOM 913 CB TRP A 71 -11.992 5.743 -9.058 1.00 0.00 C ATOM 914 CG TRP A 71 -12.101 5.143 -7.694 1.00 0.00 C ATOM 915 CD1 TRP A 71 -13.145 5.251 -6.828 1.00 0.00 C ATOM 916 CD2 TRP A 71 -11.115 4.337 -7.043 1.00 0.00 C ATOM 917 NE1 TRP A 71 -12.867 4.564 -5.671 1.00 0.00 N ATOM 918 CE2 TRP A 71 -11.627 3.993 -5.781 1.00 0.00 C ATOM 919 CE3 TRP A 71 -9.848 3.876 -7.408 1.00 0.00 C ATOM 920 CZ2 TRP A 71 -10.917 3.203 -4.880 1.00 0.00 C ATOM 921 CZ3 TRP A 71 -9.142 3.094 -6.514 1.00 0.00 C ATOM 922 CH2 TRP A 71 -9.678 2.763 -5.262 1.00 0.00 C ATOM 0 H TRP A 71 -12.338 8.206 -8.958 1.00 0.00 H new ATOM 0 HA TRP A 71 -10.173 6.627 -8.337 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -12.930 6.240 -9.305 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.852 4.946 -9.788 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.057 5.796 -7.021 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.484 4.491 -4.862 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.428 4.126 -8.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.329 2.947 -3.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.161 2.732 -6.784 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.102 2.149 -4.585 1.00 0.00 H new ATOM 933 N ASP A 72 -10.554 7.070 -11.555 1.00 0.00 N ATOM 934 CA ASP A 72 -9.919 6.929 -12.857 1.00 0.00 C ATOM 935 C ASP A 72 -8.450 7.334 -12.807 1.00 0.00 C ATOM 936 O ASP A 72 -7.596 6.671 -13.401 1.00 0.00 O ATOM 937 CB ASP A 72 -10.656 7.780 -13.892 1.00 0.00 C ATOM 938 CG ASP A 72 -9.954 7.812 -15.232 1.00 0.00 C ATOM 939 OD1 ASP A 72 -10.132 6.864 -16.023 1.00 0.00 O ATOM 940 OD2 ASP A 72 -9.231 8.794 -15.507 1.00 0.00 O ATOM 0 H ASP A 72 -11.383 7.665 -11.559 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.971 5.879 -13.143 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.665 7.389 -14.025 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.755 8.798 -13.515 1.00 0.00 H new ATOM 945 N ALA A 73 -8.154 8.393 -12.061 1.00 0.00 N ATOM 946 CA ALA A 73 -6.802 8.921 -12.009 1.00 0.00 C ATOM 947 C ALA A 73 -5.950 8.100 -11.058 1.00 0.00 C ATOM 948 O ALA A 73 -4.738 7.979 -11.239 1.00 0.00 O ATOM 949 CB ALA A 73 -6.820 10.385 -11.589 1.00 0.00 C ATOM 0 H ALA A 73 -8.830 8.898 -11.488 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.364 8.856 -13.005 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.799 10.766 -11.555 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.399 10.963 -12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.274 10.475 -10.602 1.00 0.00 H new ATOM 955 N LEU A 74 -6.598 7.517 -10.060 1.00 0.00 N ATOM 956 CA LEU A 74 -5.910 6.712 -9.064 1.00 0.00 C ATOM 957 C LEU A 74 -5.306 5.479 -9.711 1.00 0.00 C ATOM 958 O LEU A 74 -4.121 5.184 -9.546 1.00 0.00 O ATOM 959 CB LEU A 74 -6.870 6.305 -7.944 1.00 0.00 C ATOM 960 CG LEU A 74 -7.691 7.452 -7.355 1.00 0.00 C ATOM 961 CD1 LEU A 74 -8.474 6.994 -6.135 1.00 0.00 C ATOM 962 CD2 LEU A 74 -6.781 8.614 -7.010 1.00 0.00 C ATOM 0 H LEU A 74 -7.606 7.588 -9.919 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.108 7.310 -8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.553 5.547 -8.328 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.295 5.840 -7.143 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.412 7.782 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.049 7.830 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.153 6.190 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.783 6.633 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.373 9.428 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.039 8.291 -6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.275 8.960 -7.911 1.00 0.00 H new ATOM 974 N LYS A 75 -6.126 4.783 -10.474 1.00 0.00 N ATOM 975 CA LYS A 75 -5.691 3.586 -11.168 1.00 0.00 C ATOM 976 C LYS A 75 -4.794 3.933 -12.351 1.00 0.00 C ATOM 977 O LYS A 75 -3.951 3.135 -12.744 1.00 0.00 O ATOM 978 CB LYS A 75 -6.902 2.770 -11.614 1.00 0.00 C ATOM 979 CG LYS A 75 -8.008 3.612 -12.214 1.00 0.00 C ATOM 980 CD LYS A 75 -9.306 2.823 -12.314 1.00 0.00 C ATOM 981 CE LYS A 75 -9.695 2.222 -10.972 1.00 0.00 C ATOM 982 NZ LYS A 75 -10.997 1.505 -11.024 1.00 0.00 N ATOM 0 H LYS A 75 -7.104 5.028 -10.630 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.102 2.981 -10.479 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.582 2.029 -12.347 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.296 2.222 -10.758 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.165 4.500 -11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.711 3.956 -13.205 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.104 3.476 -12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.195 2.028 -13.052 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.917 1.531 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.750 3.014 -10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.216 1.114 -10.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.747 2.167 -11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.940 0.731 -11.716 1.00 0.00 H new ATOM 996 N ALA A 76 -4.966 5.129 -12.910 1.00 0.00 N ATOM 997 CA ALA A 76 -4.092 5.592 -13.983 1.00 0.00 C ATOM 998 C ALA A 76 -2.675 5.824 -13.461 1.00 0.00 C ATOM 999 O ALA A 76 -1.690 5.484 -14.126 1.00 0.00 O ATOM 1000 CB ALA A 76 -4.643 6.862 -14.617 1.00 0.00 C ATOM 0 H ALA A 76 -5.696 5.789 -12.640 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.053 4.817 -14.749 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.976 7.190 -15.414 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.632 6.663 -15.030 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.716 7.644 -13.861 1.00 0.00 H new ATOM 1006 N ALA A 77 -2.570 6.403 -12.268 1.00 0.00 N ATOM 1007 CA ALA A 77 -1.271 6.596 -11.637 1.00 0.00 C ATOM 1008 C ALA A 77 -0.664 5.260 -11.272 1.00 0.00 C ATOM 1009 O ALA A 77 0.489 4.985 -11.598 1.00 0.00 O ATOM 1010 CB ALA A 77 -1.378 7.465 -10.401 1.00 0.00 C ATOM 0 H ALA A 77 -3.363 6.744 -11.724 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.627 7.104 -12.354 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.391 7.588 -9.956 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.776 8.442 -10.676 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.045 6.992 -9.680 1.00 0.00 H new ATOM 1016 N ALA A 78 -1.446 4.439 -10.582 1.00 0.00 N ATOM 1017 CA ALA A 78 -1.047 3.077 -10.274 1.00 0.00 C ATOM 1018 C ALA A 78 -0.595 2.350 -11.533 1.00 0.00 C ATOM 1019 O ALA A 78 0.310 1.534 -11.481 1.00 0.00 O ATOM 1020 CB ALA A 78 -2.192 2.333 -9.607 1.00 0.00 C ATOM 0 H ALA A 78 -2.366 4.698 -10.224 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.205 3.111 -9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.881 1.313 -9.381 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.467 2.842 -8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.051 2.310 -10.278 1.00 0.00 H new ATOM 1026 N HIS A 79 -1.206 2.687 -12.668 1.00 0.00 N ATOM 1027 CA HIS A 79 -0.838 2.082 -13.945 1.00 0.00 C ATOM 1028 C HIS A 79 0.607 2.414 -14.295 1.00 0.00 C ATOM 1029 O HIS A 79 1.394 1.531 -14.632 1.00 0.00 O ATOM 1030 CB HIS A 79 -1.768 2.561 -15.067 1.00 0.00 C ATOM 1031 CG HIS A 79 -1.409 2.014 -16.421 1.00 0.00 C ATOM 1032 ND1 HIS A 79 -1.901 0.821 -16.903 1.00 0.00 N ATOM 1033 CD2 HIS A 79 -0.596 2.501 -17.391 1.00 0.00 C ATOM 1034 CE1 HIS A 79 -1.408 0.598 -18.106 1.00 0.00 C ATOM 1035 NE2 HIS A 79 -0.615 1.600 -18.424 1.00 0.00 N ATOM 0 H HIS A 79 -1.957 3.375 -12.728 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.941 1.001 -13.846 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.791 2.272 -14.827 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.745 3.650 -15.107 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -0.038 3.425 -17.356 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -1.619 -0.261 -18.725 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -0.098 1.691 -19.298 1.00 0.00 H new ATOM 1044 N ALA A 80 0.952 3.694 -14.232 1.00 0.00 N ATOM 1045 CA ALA A 80 2.316 4.113 -14.501 1.00 0.00 C ATOM 1046 C ALA A 80 3.256 3.579 -13.439 1.00 0.00 C ATOM 1047 O ALA A 80 4.265 2.954 -13.758 1.00 0.00 O ATOM 1048 CB ALA A 80 2.419 5.618 -14.568 1.00 0.00 C ATOM 0 H ALA A 80 0.310 4.452 -13.999 1.00 0.00 H new ATOM 0 HA ALA A 80 2.605 3.704 -15.469 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.451 5.903 -14.771 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.776 5.992 -15.365 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.104 6.047 -13.617 1.00 0.00 H new ATOM 1054 N PHE A 81 2.921 3.824 -12.174 1.00 0.00 N ATOM 1055 CA PHE A 81 3.735 3.322 -11.074 1.00 0.00 C ATOM 1056 C PHE A 81 3.912 1.790 -11.160 1.00 0.00 C ATOM 1057 O PHE A 81 4.919 1.255 -10.698 1.00 0.00 O ATOM 1058 CB PHE A 81 3.182 3.754 -9.695 1.00 0.00 C ATOM 1059 CG PHE A 81 3.728 2.923 -8.557 1.00 0.00 C ATOM 1060 CD1 PHE A 81 5.094 2.837 -8.338 1.00 0.00 C ATOM 1061 CD2 PHE A 81 2.882 2.190 -7.743 1.00 0.00 C ATOM 1062 CE1 PHE A 81 5.599 2.028 -7.343 1.00 0.00 C ATOM 1063 CE2 PHE A 81 3.379 1.390 -6.736 1.00 0.00 C ATOM 1064 CZ PHE A 81 4.740 1.303 -6.541 1.00 0.00 C ATOM 0 H PHE A 81 2.102 4.360 -11.889 1.00 0.00 H new ATOM 0 HA PHE A 81 4.721 3.775 -11.174 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.427 4.802 -9.523 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.095 3.678 -9.705 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.770 3.411 -8.954 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.815 2.246 -7.899 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.666 1.961 -7.191 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.704 0.834 -6.103 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.135 0.668 -5.761 1.00 0.00 H new ATOM 1074 N GLU A 82 2.962 1.082 -11.777 1.00 0.00 N ATOM 1075 CA GLU A 82 3.124 -0.355 -12.019 1.00 0.00 C ATOM 1076 C GLU A 82 4.390 -0.629 -12.828 1.00 0.00 C ATOM 1077 O GLU A 82 5.067 -1.637 -12.624 1.00 0.00 O ATOM 1078 CB GLU A 82 1.922 -0.945 -12.763 1.00 0.00 C ATOM 1079 CG GLU A 82 0.759 -1.335 -11.864 1.00 0.00 C ATOM 1080 CD GLU A 82 -0.312 -2.103 -12.612 1.00 0.00 C ATOM 1081 OE1 GLU A 82 -1.132 -1.476 -13.314 1.00 0.00 O ATOM 1082 OE2 GLU A 82 -0.333 -3.351 -12.512 1.00 0.00 O ATOM 0 H GLU A 82 2.083 1.474 -12.115 1.00 0.00 H new ATOM 0 HA GLU A 82 3.200 -0.832 -11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.571 -0.219 -13.496 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.249 -1.825 -13.317 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.129 -1.942 -11.038 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.322 -0.437 -11.428 1.00 0.00 H new ATOM 1089 N SER A 83 4.706 0.286 -13.730 1.00 0.00 N ATOM 1090 CA SER A 83 5.903 0.193 -14.551 1.00 0.00 C ATOM 1091 C SER A 83 7.060 0.906 -13.848 1.00 0.00 C ATOM 1092 O SER A 83 8.073 1.240 -14.465 1.00 0.00 O ATOM 1093 CB SER A 83 5.632 0.821 -15.922 1.00 0.00 C ATOM 1094 OG SER A 83 6.668 0.543 -16.848 1.00 0.00 O ATOM 0 H SER A 83 4.140 1.114 -13.914 1.00 0.00 H new ATOM 0 HA SER A 83 6.174 -0.853 -14.695 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.686 0.445 -16.312 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.525 1.900 -15.812 1.00 0.00 H new ATOM 0 HG SER A 83 7.537 0.669 -16.414 1.00 0.00 H new ATOM 1100 N ASN A 84 6.874 1.146 -12.543 1.00 0.00 N ATOM 1101 CA ASN A 84 7.850 1.848 -11.701 1.00 0.00 C ATOM 1102 C ASN A 84 7.903 3.327 -12.069 1.00 0.00 C ATOM 1103 O ASN A 84 8.755 4.078 -11.595 1.00 0.00 O ATOM 1104 CB ASN A 84 9.240 1.221 -11.828 1.00 0.00 C ATOM 1105 CG ASN A 84 10.189 1.674 -10.732 1.00 0.00 C ATOM 1106 OD1 ASN A 84 9.779 1.902 -9.592 1.00 0.00 O ATOM 1107 ND2 ASN A 84 11.461 1.821 -11.070 1.00 0.00 N ATOM 0 H ASN A 84 6.036 0.856 -12.039 1.00 0.00 H new ATOM 0 HA ASN A 84 7.529 1.754 -10.664 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.149 0.135 -11.798 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.663 1.479 -12.799 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.140 2.133 -10.376 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.761 1.622 -12.024 1.00 0.00 H new ATOM 1114 N ASP A 85 6.974 3.736 -12.916 1.00 0.00 N ATOM 1115 CA ASP A 85 6.918 5.108 -13.397 1.00 0.00 C ATOM 1116 C ASP A 85 6.355 6.033 -12.327 1.00 0.00 C ATOM 1117 O ASP A 85 5.139 6.187 -12.196 1.00 0.00 O ATOM 1118 CB ASP A 85 6.070 5.203 -14.660 1.00 0.00 C ATOM 1119 CG ASP A 85 6.376 6.455 -15.455 1.00 0.00 C ATOM 1120 OD1 ASP A 85 6.489 7.543 -14.850 1.00 0.00 O ATOM 1121 OD2 ASP A 85 6.543 6.340 -16.687 1.00 0.00 O ATOM 0 H ASP A 85 6.241 3.132 -13.288 1.00 0.00 H new ATOM 0 HA ASP A 85 7.935 5.421 -13.632 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.247 4.326 -15.282 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.014 5.194 -14.389 1.00 0.00 H new ATOM 1126 N HIS A 86 7.246 6.628 -11.551 1.00 0.00 N ATOM 1127 CA HIS A 86 6.851 7.535 -10.488 1.00 0.00 C ATOM 1128 C HIS A 86 6.325 8.846 -11.063 1.00 0.00 C ATOM 1129 O HIS A 86 5.227 9.280 -10.721 1.00 0.00 O ATOM 1130 CB HIS A 86 8.032 7.809 -9.553 1.00 0.00 C ATOM 1131 CG HIS A 86 8.608 6.572 -8.938 1.00 0.00 C ATOM 1132 ND1 HIS A 86 9.719 5.936 -9.439 1.00 0.00 N ATOM 1133 CD2 HIS A 86 8.214 5.846 -7.865 1.00 0.00 C ATOM 1134 CE1 HIS A 86 9.984 4.873 -8.711 1.00 0.00 C ATOM 1135 NE2 HIS A 86 9.086 4.791 -7.747 1.00 0.00 N ATOM 0 H HIS A 86 8.254 6.497 -11.639 1.00 0.00 H new ATOM 0 HA HIS A 86 6.052 7.061 -9.918 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.814 8.326 -10.110 1.00 0.00 H new ATOM 0 HB3 HIS A 86 7.708 8.482 -8.759 1.00 0.00 H new ATOM 0 HD2 HIS A 86 7.372 6.057 -7.222 1.00 0.00 H new ATOM 0 HE1 HIS A 86 10.799 4.183 -8.874 1.00 0.00 H new ATOM 0 HE2 HIS A 86 9.046 4.064 -7.032 1.00 0.00 H new ATOM 1144 N GLU A 87 7.102 9.444 -11.967 1.00 0.00 N ATOM 1145 CA GLU A 87 6.819 10.789 -12.472 1.00 0.00 C ATOM 1146 C GLU A 87 5.445 10.881 -13.127 1.00 0.00 C ATOM 1147 O GLU A 87 4.732 11.868 -12.937 1.00 0.00 O ATOM 1148 CB GLU A 87 7.913 11.227 -13.450 1.00 0.00 C ATOM 1149 CG GLU A 87 8.047 10.334 -14.668 1.00 0.00 C ATOM 1150 CD GLU A 87 9.336 10.574 -15.421 1.00 0.00 C ATOM 1151 OE1 GLU A 87 9.380 11.495 -16.264 1.00 0.00 O ATOM 1152 OE2 GLU A 87 10.318 9.849 -15.160 1.00 0.00 O ATOM 0 H GLU A 87 7.937 9.016 -12.367 1.00 0.00 H new ATOM 0 HA GLU A 87 6.811 11.465 -11.617 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.704 12.245 -13.780 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.867 11.252 -12.924 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.000 9.290 -14.357 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.202 10.506 -15.335 1.00 0.00 H new ATOM 1159 N LEU A 88 5.070 9.860 -13.888 1.00 0.00 N ATOM 1160 CA LEU A 88 3.747 9.821 -14.494 1.00 0.00 C ATOM 1161 C LEU A 88 2.665 9.878 -13.431 1.00 0.00 C ATOM 1162 O LEU A 88 1.776 10.726 -13.480 1.00 0.00 O ATOM 1163 CB LEU A 88 3.570 8.554 -15.320 1.00 0.00 C ATOM 1164 CG LEU A 88 3.933 8.674 -16.799 1.00 0.00 C ATOM 1165 CD1 LEU A 88 3.521 7.419 -17.544 1.00 0.00 C ATOM 1166 CD2 LEU A 88 3.268 9.895 -17.412 1.00 0.00 C ATOM 0 H LEU A 88 5.659 9.054 -14.098 1.00 0.00 H new ATOM 0 HA LEU A 88 3.657 10.691 -15.145 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.179 7.765 -14.878 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.531 8.235 -15.244 1.00 0.00 H new ATOM 0 HG LEU A 88 5.013 8.791 -16.883 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.785 7.518 -18.597 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.037 6.558 -17.119 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.444 7.278 -17.452 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.537 9.965 -18.466 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.186 9.805 -17.319 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.603 10.792 -16.891 1.00 0.00 H new ATOM 1178 N ALA A 89 2.768 8.988 -12.460 1.00 0.00 N ATOM 1179 CA ALA A 89 1.755 8.854 -11.433 1.00 0.00 C ATOM 1180 C ALA A 89 1.679 10.102 -10.557 1.00 0.00 C ATOM 1181 O ALA A 89 0.587 10.547 -10.198 1.00 0.00 O ATOM 1182 CB ALA A 89 2.034 7.606 -10.611 1.00 0.00 C ATOM 0 H ALA A 89 3.552 8.342 -12.363 1.00 0.00 H new ATOM 0 HA ALA A 89 0.780 8.750 -11.908 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.273 7.502 -9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.013 6.731 -11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.016 7.689 -10.145 1.00 0.00 H new ATOM 1188 N GLN A 90 2.836 10.670 -10.231 1.00 0.00 N ATOM 1189 CA GLN A 90 2.892 11.911 -9.460 1.00 0.00 C ATOM 1190 C GLN A 90 2.131 13.024 -10.182 1.00 0.00 C ATOM 1191 O GLN A 90 1.313 13.720 -9.579 1.00 0.00 O ATOM 1192 CB GLN A 90 4.344 12.351 -9.235 1.00 0.00 C ATOM 1193 CG GLN A 90 5.215 11.301 -8.564 1.00 0.00 C ATOM 1194 CD GLN A 90 6.655 11.750 -8.385 1.00 0.00 C ATOM 1195 OE1 GLN A 90 7.346 11.299 -7.477 1.00 0.00 O ATOM 1196 NE2 GLN A 90 7.117 12.648 -9.241 1.00 0.00 N ATOM 0 H GLN A 90 3.748 10.292 -10.488 1.00 0.00 H new ATOM 0 HA GLN A 90 2.426 11.723 -8.493 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.786 12.613 -10.196 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.348 13.254 -8.625 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.793 11.056 -7.589 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.196 10.388 -9.158 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.514 13.001 -9.984 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.076 12.986 -9.157 1.00 0.00 H new ATOM 1205 N ALA A 91 2.382 13.153 -11.480 1.00 0.00 N ATOM 1206 CA ALA A 91 1.804 14.230 -12.277 1.00 0.00 C ATOM 1207 C ALA A 91 0.318 14.005 -12.537 1.00 0.00 C ATOM 1208 O ALA A 91 -0.428 14.952 -12.770 1.00 0.00 O ATOM 1209 CB ALA A 91 2.557 14.372 -13.589 1.00 0.00 C ATOM 0 H ALA A 91 2.986 12.521 -12.006 1.00 0.00 H new ATOM 0 HA ALA A 91 1.900 15.155 -11.708 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.117 15.179 -14.176 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.603 14.600 -13.385 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.492 13.439 -14.149 1.00 0.00 H new ATOM 1215 N ILE A 92 -0.110 12.752 -12.501 1.00 0.00 N ATOM 1216 CA ILE A 92 -1.517 12.429 -12.687 1.00 0.00 C ATOM 1217 C ILE A 92 -2.339 12.893 -11.486 1.00 0.00 C ATOM 1218 O ILE A 92 -3.260 13.699 -11.629 1.00 0.00 O ATOM 1219 CB ILE A 92 -1.718 10.917 -12.914 1.00 0.00 C ATOM 1220 CG1 ILE A 92 -1.150 10.509 -14.275 1.00 0.00 C ATOM 1221 CG2 ILE A 92 -3.188 10.546 -12.816 1.00 0.00 C ATOM 1222 CD1 ILE A 92 -1.340 9.047 -14.603 1.00 0.00 C ATOM 0 H ILE A 92 0.494 11.945 -12.345 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.863 12.956 -13.576 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.182 10.377 -12.134 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.624 11.110 -15.051 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.085 10.741 -14.298 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.305 9.475 -12.980 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.563 10.805 -11.826 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.752 11.092 -13.572 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.912 8.835 -15.583 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.842 8.437 -13.849 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.404 8.812 -14.614 1.00 0.00 H new ATOM 1234 N ILE A 93 -1.997 12.371 -10.311 1.00 0.00 N ATOM 1235 CA ILE A 93 -2.635 12.769 -9.056 1.00 0.00 C ATOM 1236 C ILE A 93 -2.598 14.285 -8.871 1.00 0.00 C ATOM 1237 O ILE A 93 -3.642 14.937 -8.794 1.00 0.00 O ATOM 1238 CB ILE A 93 -1.940 12.089 -7.853 1.00 0.00 C ATOM 1239 CG1 ILE A 93 -1.806 10.584 -8.097 1.00 0.00 C ATOM 1240 CG2 ILE A 93 -2.702 12.343 -6.565 1.00 0.00 C ATOM 1241 CD1 ILE A 93 -3.046 9.951 -8.669 1.00 0.00 C ATOM 0 H ILE A 93 -1.272 11.662 -10.200 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.676 12.448 -9.103 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.945 12.523 -7.751 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.972 10.408 -8.777 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.559 10.093 -7.156 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.190 11.853 -5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.752 13.416 -6.377 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.712 11.943 -6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.876 8.884 -8.815 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.879 10.095 -7.981 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.283 10.415 -9.627 1.00 0.00 H new ATOM 1253 N ASP A 94 -1.392 14.840 -8.845 1.00 0.00 N ATOM 1254 CA ASP A 94 -1.200 16.273 -8.612 1.00 0.00 C ATOM 1255 C ASP A 94 -1.816 17.105 -9.731 1.00 0.00 C ATOM 1256 O ASP A 94 -2.217 18.250 -9.519 1.00 0.00 O ATOM 1257 CB ASP A 94 0.296 16.573 -8.475 1.00 0.00 C ATOM 1258 CG ASP A 94 0.616 18.057 -8.439 1.00 0.00 C ATOM 1259 OD1 ASP A 94 0.472 18.681 -7.370 1.00 0.00 O ATOM 1260 OD2 ASP A 94 1.032 18.602 -9.485 1.00 0.00 O ATOM 0 H ASP A 94 -0.526 14.319 -8.983 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.708 16.546 -7.687 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.670 16.107 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.828 16.115 -9.309 1.00 0.00 H new ATOM 1265 N GLY A 95 -1.935 16.505 -10.909 1.00 0.00 N ATOM 1266 CA GLY A 95 -2.507 17.204 -12.043 1.00 0.00 C ATOM 1267 C GLY A 95 -3.978 17.518 -11.853 1.00 0.00 C ATOM 1268 O GLY A 95 -4.561 18.280 -12.626 1.00 0.00 O ATOM 0 H GLY A 95 -1.645 15.546 -11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.959 18.132 -12.207 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.382 16.597 -12.940 1.00 0.00 H new ATOM 1272 N ALA A 96 -4.588 16.938 -10.826 1.00 0.00 N ATOM 1273 CA ALA A 96 -5.994 17.170 -10.563 1.00 0.00 C ATOM 1274 C ALA A 96 -6.201 17.953 -9.271 1.00 0.00 C ATOM 1275 O ALA A 96 -7.306 17.970 -8.735 1.00 0.00 O ATOM 1276 CB ALA A 96 -6.744 15.846 -10.507 1.00 0.00 C ATOM 0 H ALA A 96 -4.130 16.308 -10.168 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.392 17.771 -11.381 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.799 16.034 -10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.640 15.329 -11.461 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.330 15.227 -9.711 1.00 0.00 H new ATOM 1282 N ASN A 97 -5.120 18.579 -8.771 1.00 0.00 N ATOM 1283 CA ASN A 97 -5.156 19.334 -7.503 1.00 0.00 C ATOM 1284 C ASN A 97 -5.253 18.356 -6.351 1.00 0.00 C ATOM 1285 O ASN A 97 -5.478 18.725 -5.198 1.00 0.00 O ATOM 1286 CB ASN A 97 -6.337 20.311 -7.434 1.00 0.00 C ATOM 1287 CG ASN A 97 -6.309 21.377 -8.509 1.00 0.00 C ATOM 1288 OD1 ASN A 97 -5.244 21.823 -8.942 1.00 0.00 O ATOM 1289 ND2 ASN A 97 -7.488 21.792 -8.941 1.00 0.00 N ATOM 0 H ASN A 97 -4.208 18.577 -9.227 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.241 19.923 -7.443 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.267 19.749 -7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.341 20.793 -6.457 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.543 22.511 -9.663 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.343 21.393 -8.553 1.00 0.00 H new ATOM 1296 N ILE A 98 -5.081 17.105 -6.699 1.00 0.00 N ATOM 1297 CA ILE A 98 -5.209 16.003 -5.783 1.00 0.00 C ATOM 1298 C ILE A 98 -3.836 15.615 -5.257 1.00 0.00 C ATOM 1299 O ILE A 98 -2.866 15.587 -6.012 1.00 0.00 O ATOM 1300 CB ILE A 98 -5.894 14.838 -6.517 1.00 0.00 C ATOM 1301 CG1 ILE A 98 -7.374 15.169 -6.711 1.00 0.00 C ATOM 1302 CG2 ILE A 98 -5.703 13.527 -5.786 1.00 0.00 C ATOM 1303 CD1 ILE A 98 -8.044 14.358 -7.787 1.00 0.00 C ATOM 0 H ILE A 98 -4.843 16.820 -7.649 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.820 16.279 -4.924 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.429 14.712 -7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.899 15.009 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.471 16.227 -6.954 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.201 12.728 -6.335 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.639 13.305 -5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.131 13.602 -4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.091 14.651 -7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.546 14.536 -8.740 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.981 13.299 -7.537 1.00 0.00 H new ATOM 1315 N THR A 99 -3.735 15.334 -3.969 1.00 0.00 N ATOM 1316 CA THR A 99 -2.426 15.158 -3.358 1.00 0.00 C ATOM 1317 C THR A 99 -2.404 13.999 -2.369 1.00 0.00 C ATOM 1318 O THR A 99 -3.445 13.440 -2.018 1.00 0.00 O ATOM 1319 CB THR A 99 -1.979 16.438 -2.629 1.00 0.00 C ATOM 1320 OG1 THR A 99 -3.002 16.873 -1.725 1.00 0.00 O ATOM 1321 CG2 THR A 99 -1.646 17.564 -3.601 1.00 0.00 C ATOM 0 H THR A 99 -4.526 15.224 -3.335 1.00 0.00 H new ATOM 0 HA THR A 99 -1.737 14.936 -4.173 1.00 0.00 H new ATOM 0 HB THR A 99 -1.072 16.195 -2.075 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.708 17.687 -1.265 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.336 18.447 -3.042 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.837 17.249 -4.260 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.527 17.803 -4.197 1.00 0.00 H new ATOM 1329 N LEU A 100 -1.199 13.626 -1.948 1.00 0.00 N ATOM 1330 CA LEU A 100 -1.012 12.623 -0.915 1.00 0.00 C ATOM 1331 C LEU A 100 0.269 12.936 -0.140 1.00 0.00 C ATOM 1332 O LEU A 100 1.370 12.610 -0.581 1.00 0.00 O ATOM 1333 CB LEU A 100 -0.979 11.219 -1.537 1.00 0.00 C ATOM 1334 CG LEU A 100 -1.136 10.048 -0.567 1.00 0.00 C ATOM 1335 CD1 LEU A 100 0.158 9.717 0.143 1.00 0.00 C ATOM 1336 CD2 LEU A 100 -2.240 10.361 0.415 1.00 0.00 C ATOM 0 H LEU A 100 -0.329 14.012 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.848 12.644 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.772 11.156 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.034 11.101 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.404 9.159 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.003 8.879 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.918 9.449 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.493 10.585 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.356 9.529 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.988 11.264 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.174 10.516 -0.125 1.00 0.00 H new ATOM 1348 N PRO A 101 0.131 13.563 1.040 1.00 0.00 N ATOM 1349 CA PRO A 101 1.268 14.084 1.821 1.00 0.00 C ATOM 1350 C PRO A 101 2.182 12.987 2.362 1.00 0.00 C ATOM 1351 O PRO A 101 3.268 13.260 2.866 1.00 0.00 O ATOM 1352 CB PRO A 101 0.588 14.821 2.979 1.00 0.00 C ATOM 1353 CG PRO A 101 -0.728 14.146 3.119 1.00 0.00 C ATOM 1354 CD PRO A 101 -1.152 13.815 1.718 1.00 0.00 C ATOM 0 HA PRO A 101 1.919 14.708 1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.173 14.747 3.896 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.470 15.882 2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.646 13.246 3.728 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -1.454 14.796 3.607 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.804 12.942 1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.699 14.637 1.256 1.00 0.00 H new ATOM 1362 N HIS A 102 1.737 11.746 2.261 1.00 0.00 N ATOM 1363 CA HIS A 102 2.516 10.627 2.769 1.00 0.00 C ATOM 1364 C HIS A 102 3.552 10.179 1.740 1.00 0.00 C ATOM 1365 O HIS A 102 4.436 9.378 2.045 1.00 0.00 O ATOM 1366 CB HIS A 102 1.612 9.443 3.137 1.00 0.00 C ATOM 1367 CG HIS A 102 0.578 9.743 4.182 1.00 0.00 C ATOM 1368 ND1 HIS A 102 -0.542 8.965 4.367 1.00 0.00 N ATOM 1369 CD2 HIS A 102 0.508 10.725 5.113 1.00 0.00 C ATOM 1370 CE1 HIS A 102 -1.253 9.449 5.367 1.00 0.00 C ATOM 1371 NE2 HIS A 102 -0.639 10.518 5.840 1.00 0.00 N ATOM 0 H HIS A 102 0.847 11.488 1.835 1.00 0.00 H new ATOM 0 HA HIS A 102 3.029 10.967 3.669 1.00 0.00 H new ATOM 0 HB2 HIS A 102 1.107 9.095 2.236 1.00 0.00 H new ATOM 0 HB3 HIS A 102 2.237 8.622 3.489 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.785 8.142 3.816 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.222 11.523 5.257 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -2.181 9.040 5.737 1.00 0.00 H new ATOM 1380 N GLY A 103 3.445 10.713 0.522 1.00 0.00 N ATOM 1381 CA GLY A 103 4.332 10.314 -0.552 1.00 0.00 C ATOM 1382 C GLY A 103 4.105 8.890 -0.993 1.00 0.00 C ATOM 1383 O GLY A 103 5.050 8.171 -1.301 1.00 0.00 O ATOM 0 H GLY A 103 2.755 11.418 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.190 10.981 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.366 10.429 -0.226 1.00 0.00 H new ATOM 1387 N ALA A 104 2.851 8.479 -1.021 1.00 0.00 N ATOM 1388 CA ALA A 104 2.513 7.119 -1.378 1.00 0.00 C ATOM 1389 C ALA A 104 1.566 7.077 -2.560 1.00 0.00 C ATOM 1390 O ALA A 104 0.638 7.872 -2.661 1.00 0.00 O ATOM 1391 CB ALA A 104 1.899 6.389 -0.196 1.00 0.00 C ATOM 0 H ALA A 104 2.050 9.071 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 104 3.438 6.617 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.652 5.368 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.611 6.369 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.992 6.905 0.119 1.00 0.00 H new ATOM 1397 N LEU A 105 1.819 6.130 -3.446 1.00 0.00 N ATOM 1398 CA LEU A 105 0.968 5.898 -4.607 1.00 0.00 C ATOM 1399 C LEU A 105 -0.280 5.161 -4.148 1.00 0.00 C ATOM 1400 O LEU A 105 -1.329 5.206 -4.780 1.00 0.00 O ATOM 1401 CB LEU A 105 1.738 5.050 -5.636 1.00 0.00 C ATOM 1402 CG LEU A 105 1.351 5.216 -7.117 1.00 0.00 C ATOM 1403 CD1 LEU A 105 -0.080 4.769 -7.395 1.00 0.00 C ATOM 1404 CD2 LEU A 105 1.562 6.652 -7.554 1.00 0.00 C ATOM 0 H LEU A 105 2.618 5.499 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 105 0.685 6.843 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.799 5.280 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.613 4.000 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 105 2.003 4.566 -7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.305 4.906 -8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.190 3.716 -7.134 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.770 5.365 -6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.285 6.758 -8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.942 7.312 -6.947 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.611 6.921 -7.427 1.00 0.00 H new ATOM 1416 N THR A 106 -0.152 4.504 -3.009 1.00 0.00 N ATOM 1417 CA THR A 106 -1.183 3.621 -2.518 1.00 0.00 C ATOM 1418 C THR A 106 -2.154 4.349 -1.601 1.00 0.00 C ATOM 1419 O THR A 106 -2.871 3.730 -0.824 1.00 0.00 O ATOM 1420 CB THR A 106 -0.547 2.432 -1.791 1.00 0.00 C ATOM 1421 OG1 THR A 106 0.191 2.892 -0.649 1.00 0.00 O ATOM 1422 CG2 THR A 106 0.399 1.704 -2.726 1.00 0.00 C ATOM 0 H THR A 106 0.667 4.570 -2.404 1.00 0.00 H new ATOM 0 HA THR A 106 -1.752 3.257 -3.373 1.00 0.00 H new ATOM 0 HB THR A 106 -1.339 1.757 -1.467 1.00 0.00 H new ATOM 0 HG1 THR A 106 1.025 2.383 -0.572 1.00 0.00 H new ATOM 0 HG21 THR A 106 0.848 0.859 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.153 1.342 -3.593 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.183 2.386 -3.054 1.00 0.00 H new ATOM 1430 N GLU A 107 -2.149 5.666 -1.690 1.00 0.00 N ATOM 1431 CA GLU A 107 -3.128 6.504 -1.022 1.00 0.00 C ATOM 1432 C GLU A 107 -3.315 7.763 -1.844 1.00 0.00 C ATOM 1433 O GLU A 107 -2.386 8.201 -2.522 1.00 0.00 O ATOM 1434 CB GLU A 107 -2.693 6.881 0.401 1.00 0.00 C ATOM 1435 CG GLU A 107 -2.559 5.708 1.353 1.00 0.00 C ATOM 1436 CD GLU A 107 -2.359 6.150 2.789 1.00 0.00 C ATOM 1437 OE1 GLU A 107 -1.403 6.906 3.058 1.00 0.00 O ATOM 1438 OE2 GLU A 107 -3.144 5.720 3.663 1.00 0.00 O ATOM 0 H GLU A 107 -1.461 6.188 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.061 5.946 -0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.736 7.400 0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.416 7.585 0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.452 5.087 1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.717 5.088 1.046 1.00 0.00 H new ATOM 1445 N CYS A 108 -4.505 8.330 -1.811 1.00 0.00 N ATOM 1446 CA CYS A 108 -4.765 9.577 -2.509 1.00 0.00 C ATOM 1447 C CYS A 108 -5.845 10.367 -1.796 1.00 0.00 C ATOM 1448 O CYS A 108 -6.791 9.793 -1.249 1.00 0.00 O ATOM 1449 CB CYS A 108 -5.181 9.317 -3.960 1.00 0.00 C ATOM 1450 SG CYS A 108 -3.902 8.541 -4.979 1.00 0.00 S ATOM 0 H CYS A 108 -5.307 7.949 -1.309 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.843 10.158 -2.513 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.066 8.681 -3.963 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.468 10.264 -4.418 1.00 0.00 H new ATOM 0 HG CYS A 108 -2.839 8.337 -4.260 1.00 0.00 H new ATOM 1456 N TYR A 109 -5.706 11.686 -1.796 1.00 0.00 N ATOM 1457 CA TYR A 109 -6.705 12.545 -1.192 1.00 0.00 C ATOM 1458 C TYR A 109 -7.299 13.459 -2.242 1.00 0.00 C ATOM 1459 O TYR A 109 -6.587 14.239 -2.887 1.00 0.00 O ATOM 1460 CB TYR A 109 -6.115 13.411 -0.069 1.00 0.00 C ATOM 1461 CG TYR A 109 -5.527 12.652 1.102 1.00 0.00 C ATOM 1462 CD1 TYR A 109 -5.792 11.307 1.305 1.00 0.00 C ATOM 1463 CD2 TYR A 109 -4.707 13.302 2.013 1.00 0.00 C ATOM 1464 CE1 TYR A 109 -5.253 10.628 2.380 1.00 0.00 C ATOM 1465 CE2 TYR A 109 -4.164 12.632 3.091 1.00 0.00 C ATOM 1466 CZ TYR A 109 -4.442 11.296 3.271 1.00 0.00 C ATOM 1467 OH TYR A 109 -3.900 10.624 4.342 1.00 0.00 O ATOM 0 H TYR A 109 -4.913 12.179 -2.207 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.471 11.898 -0.765 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.338 14.046 -0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.897 14.072 0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -6.431 10.781 0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -4.490 14.351 1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -5.466 9.579 2.521 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.525 13.153 3.789 1.00 0.00 H new ATOM 0 HH TYR A 109 -3.352 11.240 4.872 1.00 0.00 H new ATOM 1477 N ASP A 110 -8.605 13.359 -2.389 1.00 0.00 N ATOM 1478 CA ASP A 110 -9.349 14.186 -3.318 1.00 0.00 C ATOM 1479 C ASP A 110 -9.583 15.558 -2.705 1.00 0.00 C ATOM 1480 O ASP A 110 -9.782 15.679 -1.492 1.00 0.00 O ATOM 1481 CB ASP A 110 -10.674 13.508 -3.667 1.00 0.00 C ATOM 1482 CG ASP A 110 -11.694 14.470 -4.229 1.00 0.00 C ATOM 1483 OD1 ASP A 110 -11.724 14.665 -5.460 1.00 0.00 O ATOM 1484 OD2 ASP A 110 -12.468 15.034 -3.427 1.00 0.00 O ATOM 0 H ASP A 110 -9.182 12.700 -1.866 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.777 14.312 -4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.491 12.715 -4.392 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.081 13.035 -2.773 1.00 0.00 H new ATOM 1489 N GLU A 111 -9.566 16.580 -3.561 1.00 0.00 N ATOM 1490 CA GLU A 111 -9.538 17.979 -3.127 1.00 0.00 C ATOM 1491 C GLU A 111 -10.743 18.361 -2.266 1.00 0.00 C ATOM 1492 O GLU A 111 -10.664 19.297 -1.469 1.00 0.00 O ATOM 1493 CB GLU A 111 -9.458 18.914 -4.336 1.00 0.00 C ATOM 1494 CG GLU A 111 -10.544 18.678 -5.372 1.00 0.00 C ATOM 1495 CD GLU A 111 -10.655 19.820 -6.359 1.00 0.00 C ATOM 1496 OE1 GLU A 111 -9.664 20.111 -7.063 1.00 0.00 O ATOM 1497 OE2 GLU A 111 -11.732 20.447 -6.427 1.00 0.00 O ATOM 0 H GLU A 111 -9.571 16.463 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.647 18.090 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.519 19.946 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.484 18.794 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.334 17.754 -5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.501 18.542 -4.868 1.00 0.00 H new ATOM 1504 N LEU A 112 -11.846 17.638 -2.420 1.00 0.00 N ATOM 1505 CA LEU A 112 -13.059 17.926 -1.663 1.00 0.00 C ATOM 1506 C LEU A 112 -12.928 17.418 -0.231 1.00 0.00 C ATOM 1507 O LEU A 112 -13.717 17.777 0.648 1.00 0.00 O ATOM 1508 CB LEU A 112 -14.259 17.275 -2.346 1.00 0.00 C ATOM 1509 CG LEU A 112 -14.366 17.554 -3.845 1.00 0.00 C ATOM 1510 CD1 LEU A 112 -15.454 16.697 -4.464 1.00 0.00 C ATOM 1511 CD2 LEU A 112 -14.635 19.030 -4.097 1.00 0.00 C ATOM 0 H LEU A 112 -11.926 16.849 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 112 -13.207 19.005 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.207 16.197 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.170 17.622 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.416 17.297 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -15.519 16.906 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -15.217 15.644 -4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -16.409 16.924 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -14.708 19.209 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -15.571 19.316 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -13.819 19.624 -3.685 1.00 0.00 H new ATOM 1523 N GLY A 113 -11.920 16.588 -0.006 1.00 0.00 N ATOM 1524 CA GLY A 113 -11.686 16.043 1.312 1.00 0.00 C ATOM 1525 C GLY A 113 -11.893 14.546 1.363 1.00 0.00 C ATOM 1526 O GLY A 113 -12.248 14.001 2.406 1.00 0.00 O ATOM 0 H GLY A 113 -11.257 16.282 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.668 16.277 1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.356 16.524 2.025 1.00 0.00 H new ATOM 1530 N ASN A 114 -11.681 13.875 0.240 1.00 0.00 N ATOM 1531 CA ASN A 114 -11.850 12.426 0.185 1.00 0.00 C ATOM 1532 C ASN A 114 -10.527 11.720 0.426 1.00 0.00 C ATOM 1533 O ASN A 114 -9.481 12.179 -0.026 1.00 0.00 O ATOM 1534 CB ASN A 114 -12.423 11.981 -1.161 1.00 0.00 C ATOM 1535 CG ASN A 114 -13.888 12.343 -1.327 1.00 0.00 C ATOM 1536 OD1 ASN A 114 -14.770 11.590 -0.912 1.00 0.00 O ATOM 1537 ND2 ASN A 114 -14.164 13.474 -1.959 1.00 0.00 N ATOM 0 H ASN A 114 -11.394 14.304 -0.640 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.554 12.154 0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.847 12.439 -1.965 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.307 10.902 -1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -15.134 13.747 -2.116 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.406 14.072 -2.288 1.00 0.00 H new ATOM 1544 N ARG A 115 -10.579 10.597 1.125 1.00 0.00 N ATOM 1545 CA ARG A 115 -9.389 9.801 1.379 1.00 0.00 C ATOM 1546 C ARG A 115 -9.597 8.383 0.866 1.00 0.00 C ATOM 1547 O ARG A 115 -10.522 7.690 1.290 1.00 0.00 O ATOM 1548 CB ARG A 115 -9.071 9.766 2.878 1.00 0.00 C ATOM 1549 CG ARG A 115 -7.922 8.832 3.236 1.00 0.00 C ATOM 1550 CD ARG A 115 -7.790 8.665 4.739 1.00 0.00 C ATOM 1551 NE ARG A 115 -9.023 8.146 5.326 1.00 0.00 N ATOM 1552 CZ ARG A 115 -9.357 8.274 6.606 1.00 0.00 C ATOM 1553 NH1 ARG A 115 -8.492 8.779 7.478 1.00 0.00 N ATOM 1554 NH2 ARG A 115 -10.554 7.871 7.011 1.00 0.00 N ATOM 0 H ARG A 115 -11.435 10.216 1.527 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.549 10.258 0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.826 10.774 3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.963 9.457 3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -8.085 7.859 2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -6.991 9.226 2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.966 7.987 4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -7.544 9.625 5.193 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.671 7.652 4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -7.566 9.071 7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.754 8.875 8.459 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.209 7.467 6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -10.819 7.965 7.991 1.00 0.00 H new ATOM 1568 N TYR A 116 -8.737 7.959 -0.046 1.00 0.00 N ATOM 1569 CA TYR A 116 -8.808 6.614 -0.589 1.00 0.00 C ATOM 1570 C TYR A 116 -7.459 5.931 -0.458 1.00 0.00 C ATOM 1571 O TYR A 116 -6.416 6.561 -0.639 1.00 0.00 O ATOM 1572 CB TYR A 116 -9.261 6.641 -2.051 1.00 0.00 C ATOM 1573 CG TYR A 116 -10.613 7.291 -2.242 1.00 0.00 C ATOM 1574 CD1 TYR A 116 -11.730 6.831 -1.556 1.00 0.00 C ATOM 1575 CD2 TYR A 116 -10.771 8.370 -3.102 1.00 0.00 C ATOM 1576 CE1 TYR A 116 -12.966 7.428 -1.720 1.00 0.00 C ATOM 1577 CE2 TYR A 116 -12.004 8.971 -3.267 1.00 0.00 C ATOM 1578 CZ TYR A 116 -13.094 8.499 -2.579 1.00 0.00 C ATOM 1579 OH TYR A 116 -14.318 9.109 -2.746 1.00 0.00 O ATOM 0 H TYR A 116 -7.981 8.529 -0.426 1.00 0.00 H new ATOM 0 HA TYR A 116 -9.545 6.047 -0.021 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -8.520 7.176 -2.645 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -9.298 5.621 -2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -11.631 5.992 -0.883 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.918 8.744 -3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -13.825 7.058 -1.179 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -12.110 9.812 -3.937 1.00 0.00 H new ATOM 0 HH TYR A 116 -14.406 9.846 -2.106 1.00 0.00 H new ATOM 1589 N GLN A 117 -7.487 4.652 -0.126 1.00 0.00 N ATOM 1590 CA GLN A 117 -6.270 3.897 0.126 1.00 0.00 C ATOM 1591 C GLN A 117 -6.235 2.692 -0.810 1.00 0.00 C ATOM 1592 O GLN A 117 -7.276 2.135 -1.149 1.00 0.00 O ATOM 1593 CB GLN A 117 -6.227 3.485 1.605 1.00 0.00 C ATOM 1594 CG GLN A 117 -6.667 4.618 2.524 1.00 0.00 C ATOM 1595 CD GLN A 117 -6.575 4.296 4.000 1.00 0.00 C ATOM 1596 OE1 GLN A 117 -7.499 3.729 4.585 1.00 0.00 O ATOM 1597 NE2 GLN A 117 -5.476 4.689 4.628 1.00 0.00 N ATOM 0 H GLN A 117 -8.345 4.111 -0.024 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.386 4.503 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -6.873 2.621 1.760 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -5.215 3.178 1.867 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -6.055 5.496 2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.697 4.884 2.286 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -4.732 5.156 4.110 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -5.375 4.525 5.630 1.00 0.00 H new ATOM 1606 N LEU A 118 -5.053 2.301 -1.240 1.00 0.00 N ATOM 1607 CA LEU A 118 -4.935 1.356 -2.333 1.00 0.00 C ATOM 1608 C LEU A 118 -4.377 0.008 -1.873 1.00 0.00 C ATOM 1609 O LEU A 118 -3.294 -0.060 -1.292 1.00 0.00 O ATOM 1610 CB LEU A 118 -4.065 1.970 -3.437 1.00 0.00 C ATOM 1611 CG LEU A 118 -4.035 1.216 -4.770 1.00 0.00 C ATOM 1612 CD1 LEU A 118 -5.443 0.896 -5.225 1.00 0.00 C ATOM 1613 CD2 LEU A 118 -3.318 2.043 -5.829 1.00 0.00 C ATOM 0 H LEU A 118 -4.165 2.620 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.932 1.156 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -4.415 2.985 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -3.044 2.049 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 118 -3.492 0.282 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -5.406 0.360 -6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -5.935 0.275 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.003 1.822 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.304 1.495 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -3.841 2.989 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.295 2.238 -5.508 1.00 0.00 H new ATOM 1625 N PRO A 119 -5.143 -1.074 -2.105 1.00 0.00 N ATOM 1626 CA PRO A 119 -4.736 -2.449 -1.784 1.00 0.00 C ATOM 1627 C PRO A 119 -3.647 -2.995 -2.717 1.00 0.00 C ATOM 1628 O PRO A 119 -3.484 -2.538 -3.848 1.00 0.00 O ATOM 1629 CB PRO A 119 -6.031 -3.260 -1.965 1.00 0.00 C ATOM 1630 CG PRO A 119 -7.126 -2.255 -2.069 1.00 0.00 C ATOM 1631 CD PRO A 119 -6.499 -1.035 -2.665 1.00 0.00 C ATOM 0 HA PRO A 119 -4.303 -2.505 -0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -5.983 -3.880 -2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -6.194 -3.931 -1.121 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -7.938 -2.624 -2.696 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -7.552 -2.038 -1.090 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -6.490 -1.073 -3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -7.030 -0.126 -2.382 1.00 0.00 H new ATOM 1639 N VAL A 120 -2.921 -4.002 -2.220 1.00 0.00 N ATOM 1640 CA VAL A 120 -1.780 -4.588 -2.933 1.00 0.00 C ATOM 1641 C VAL A 120 -2.209 -5.377 -4.168 1.00 0.00 C ATOM 1642 O VAL A 120 -1.379 -5.688 -5.020 1.00 0.00 O ATOM 1643 CB VAL A 120 -0.957 -5.553 -2.035 1.00 0.00 C ATOM 1644 CG1 VAL A 120 -0.577 -4.905 -0.718 1.00 0.00 C ATOM 1645 CG2 VAL A 120 -1.706 -6.850 -1.781 1.00 0.00 C ATOM 0 H VAL A 120 -3.107 -4.433 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.169 -3.735 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.041 -5.784 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -0.003 -5.611 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.025 -4.017 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.480 -4.621 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.102 -7.502 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.650 -6.633 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -1.905 -7.347 -2.730 1.00 0.00 H new ATOM 1655 N TYR A 121 -3.505 -5.676 -4.260 1.00 0.00 N ATOM 1656 CA TYR A 121 -4.028 -6.623 -5.253 1.00 0.00 C ATOM 1657 C TYR A 121 -3.666 -6.235 -6.691 1.00 0.00 C ATOM 1658 O TYR A 121 -3.655 -7.084 -7.582 1.00 0.00 O ATOM 1659 CB TYR A 121 -5.553 -6.752 -5.117 1.00 0.00 C ATOM 1660 CG TYR A 121 -6.325 -5.600 -5.720 1.00 0.00 C ATOM 1661 CD1 TYR A 121 -6.220 -4.320 -5.203 1.00 0.00 C ATOM 1662 CD2 TYR A 121 -7.147 -5.796 -6.822 1.00 0.00 C ATOM 1663 CE1 TYR A 121 -6.910 -3.266 -5.761 1.00 0.00 C ATOM 1664 CE2 TYR A 121 -7.846 -4.745 -7.386 1.00 0.00 C ATOM 1665 CZ TYR A 121 -7.721 -3.481 -6.854 1.00 0.00 C ATOM 1666 OH TYR A 121 -8.410 -2.429 -7.416 1.00 0.00 O ATOM 0 H TYR A 121 -4.220 -5.273 -3.654 1.00 0.00 H new ATOM 0 HA TYR A 121 -3.556 -7.584 -5.048 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -5.873 -7.679 -5.593 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -5.807 -6.833 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -5.586 -4.144 -4.347 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -7.242 -6.785 -7.245 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -6.816 -2.275 -5.343 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -8.486 -4.914 -8.239 1.00 0.00 H new ATOM 0 HH TYR A 121 -8.934 -2.751 -8.179 1.00 0.00 H new ATOM 1676 N CYS A 122 -3.370 -4.962 -6.918 1.00 0.00 N ATOM 1677 CA CYS A 122 -3.043 -4.496 -8.256 1.00 0.00 C ATOM 1678 C CYS A 122 -1.685 -3.795 -8.273 1.00 0.00 C ATOM 1679 O CYS A 122 -1.351 -3.091 -9.225 1.00 0.00 O ATOM 1680 CB CYS A 122 -4.143 -3.558 -8.762 1.00 0.00 C ATOM 1681 SG CYS A 122 -3.972 -3.068 -10.492 1.00 0.00 S ATOM 0 H CYS A 122 -3.350 -4.240 -6.198 1.00 0.00 H new ATOM 0 HA CYS A 122 -2.980 -5.358 -8.920 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -5.109 -4.046 -8.630 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -4.152 -2.661 -8.143 1.00 0.00 H new ATOM 0 HG CYS A 122 -2.714 -2.903 -10.774 1.00 0.00 H new ATOM 1687 N LEU A 123 -0.887 -4.000 -7.232 1.00 0.00 N ATOM 1688 CA LEU A 123 0.401 -3.332 -7.133 1.00 0.00 C ATOM 1689 C LEU A 123 1.515 -4.307 -6.783 1.00 0.00 C ATOM 1690 O LEU A 123 2.516 -4.394 -7.491 1.00 0.00 O ATOM 1691 CB LEU A 123 0.328 -2.227 -6.087 1.00 0.00 C ATOM 1692 CG LEU A 123 -0.641 -1.097 -6.413 1.00 0.00 C ATOM 1693 CD1 LEU A 123 -0.857 -0.235 -5.189 1.00 0.00 C ATOM 1694 CD2 LEU A 123 -0.113 -0.261 -7.568 1.00 0.00 C ATOM 0 H LEU A 123 -1.108 -4.618 -6.452 1.00 0.00 H new ATOM 0 HA LEU A 123 0.632 -2.902 -8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.040 -2.669 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.324 -1.805 -5.956 1.00 0.00 H new ATOM 0 HG LEU A 123 -1.597 -1.527 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -1.551 0.571 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -1.271 -0.843 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.095 0.189 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -0.817 0.542 -7.788 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.852 0.167 -7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 123 0.005 -0.891 -8.449 1.00 0.00 H new ATOM 1706 N ALA A 124 1.335 -5.044 -5.697 1.00 0.00 N ATOM 1707 CA ALA A 124 2.372 -5.935 -5.202 1.00 0.00 C ATOM 1708 C ALA A 124 1.805 -7.327 -4.945 1.00 0.00 C ATOM 1709 O ALA A 124 0.992 -7.520 -4.041 1.00 0.00 O ATOM 1710 CB ALA A 124 2.995 -5.360 -3.937 1.00 0.00 C ATOM 0 H ALA A 124 0.479 -5.042 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 124 3.150 -6.024 -5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.770 -6.035 -3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 124 3.435 -4.387 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.227 -5.246 -3.172 1.00 0.00 H new ATOM 1716 N PRO A 125 2.226 -8.312 -5.754 1.00 0.00 N ATOM 1717 CA PRO A 125 1.754 -9.693 -5.642 1.00 0.00 C ATOM 1718 C PRO A 125 2.511 -10.642 -4.667 1.00 0.00 C ATOM 1719 O PRO A 125 2.066 -11.776 -4.510 1.00 0.00 O ATOM 1720 CB PRO A 125 1.901 -10.195 -7.074 1.00 0.00 C ATOM 1721 CG PRO A 125 3.077 -9.460 -7.627 1.00 0.00 C ATOM 1722 CD PRO A 125 3.147 -8.140 -6.899 1.00 0.00 C ATOM 0 HA PRO A 125 0.753 -9.698 -5.211 1.00 0.00 H new ATOM 0 HB2 PRO A 125 2.063 -11.273 -7.099 1.00 0.00 H new ATOM 0 HB3 PRO A 125 1.002 -9.994 -7.656 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.994 -10.031 -7.481 1.00 0.00 H new ATOM 0 HG3 PRO A 125 2.966 -9.304 -8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 125 4.162 -7.922 -6.566 1.00 0.00 H new ATOM 0 HD3 PRO A 125 2.837 -7.314 -7.540 1.00 0.00 H new ATOM 1730 N PRO A 126 3.643 -10.270 -3.989 1.00 0.00 N ATOM 1731 CA PRO A 126 4.321 -11.214 -3.080 1.00 0.00 C ATOM 1732 C PRO A 126 3.448 -11.606 -1.885 1.00 0.00 C ATOM 1733 O PRO A 126 3.601 -12.686 -1.315 1.00 0.00 O ATOM 1734 CB PRO A 126 5.563 -10.451 -2.606 1.00 0.00 C ATOM 1735 CG PRO A 126 5.239 -9.018 -2.829 1.00 0.00 C ATOM 1736 CD PRO A 126 4.366 -8.985 -4.048 1.00 0.00 C ATOM 0 HA PRO A 126 4.554 -12.152 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 126 5.772 -10.650 -1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 126 6.448 -10.748 -3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.724 -8.594 -1.967 1.00 0.00 H new ATOM 0 HG3 PRO A 126 6.145 -8.431 -2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 126 3.681 -8.138 -4.028 1.00 0.00 H new ATOM 0 HD3 PRO A 126 4.955 -8.897 -4.961 1.00 0.00 H new ATOM 1744 N ILE A 127 2.528 -10.721 -1.523 1.00 0.00 N ATOM 1745 CA ILE A 127 1.613 -10.955 -0.418 1.00 0.00 C ATOM 1746 C ILE A 127 0.222 -11.276 -0.949 1.00 0.00 C ATOM 1747 O ILE A 127 -0.786 -10.766 -0.459 1.00 0.00 O ATOM 1748 CB ILE A 127 1.529 -9.735 0.538 1.00 0.00 C ATOM 1749 CG1 ILE A 127 1.095 -8.456 -0.210 1.00 0.00 C ATOM 1750 CG2 ILE A 127 2.864 -9.527 1.237 1.00 0.00 C ATOM 1751 CD1 ILE A 127 2.184 -7.792 -1.030 1.00 0.00 C ATOM 0 H ILE A 127 2.397 -9.823 -1.988 1.00 0.00 H new ATOM 0 HA ILE A 127 2.001 -11.801 0.149 1.00 0.00 H new ATOM 0 HB ILE A 127 0.767 -9.945 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 127 0.264 -8.704 -0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.720 -7.737 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 127 2.795 -8.669 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 127 3.115 -10.417 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 127 3.640 -9.346 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 127 1.782 -6.903 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 127 3.008 -7.506 -0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.545 -8.488 -1.787 1.00 0.00 H new ATOM 1763 N ASN A 128 0.176 -12.146 -1.945 1.00 0.00 N ATOM 1764 CA ASN A 128 -1.066 -12.428 -2.653 1.00 0.00 C ATOM 1765 C ASN A 128 -1.942 -13.389 -1.854 1.00 0.00 C ATOM 1766 O ASN A 128 -3.091 -13.077 -1.534 1.00 0.00 O ATOM 1767 CB ASN A 128 -0.783 -12.977 -4.065 1.00 0.00 C ATOM 1768 CG ASN A 128 0.012 -14.278 -4.074 1.00 0.00 C ATOM 1769 OD1 ASN A 128 0.818 -14.545 -3.177 1.00 0.00 O ATOM 1770 ND2 ASN A 128 -0.210 -15.099 -5.090 1.00 0.00 N ATOM 0 H ASN A 128 0.983 -12.670 -2.283 1.00 0.00 H new ATOM 0 HA ASN A 128 -1.612 -11.491 -2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -1.731 -13.138 -4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -0.237 -12.225 -4.634 1.00 0.00 H new ATOM 0 HD21 ASN A 128 0.292 -15.985 -5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -0.883 -14.845 -5.813 1.00 0.00 H new ATOM 1777 N MET A 129 -1.396 -14.546 -1.527 1.00 0.00 N ATOM 1778 CA MET A 129 -2.090 -15.530 -0.733 1.00 0.00 C ATOM 1779 C MET A 129 -1.064 -16.366 0.010 1.00 0.00 C ATOM 1780 O MET A 129 -0.622 -17.406 -0.477 1.00 0.00 O ATOM 1781 CB MET A 129 -2.962 -16.414 -1.623 1.00 0.00 C ATOM 1782 CG MET A 129 -3.772 -17.425 -0.841 1.00 0.00 C ATOM 1783 SD MET A 129 -5.030 -16.654 0.202 1.00 0.00 S ATOM 1784 CE MET A 129 -5.809 -18.101 0.910 1.00 0.00 C ATOM 0 H MET A 129 -0.456 -14.826 -1.808 1.00 0.00 H new ATOM 0 HA MET A 129 -2.743 -15.032 -0.016 1.00 0.00 H new ATOM 0 HB2 MET A 129 -3.638 -15.784 -2.201 1.00 0.00 H new ATOM 0 HB3 MET A 129 -2.328 -16.939 -2.337 1.00 0.00 H new ATOM 0 HG2 MET A 129 -4.254 -18.114 -1.535 1.00 0.00 H new ATOM 0 HG3 MET A 129 -3.102 -18.017 -0.218 1.00 0.00 H new ATOM 0 HE1 MET A 129 -6.868 -18.106 0.654 1.00 0.00 H new ATOM 0 HE2 MET A 129 -5.336 -18.999 0.514 1.00 0.00 H new ATOM 0 HE3 MET A 129 -5.698 -18.080 1.994 1.00 0.00 H new ATOM 1794 N ILE A 130 -0.658 -15.879 1.170 1.00 0.00 N ATOM 1795 CA ILE A 130 0.356 -16.554 1.956 1.00 0.00 C ATOM 1796 C ILE A 130 -0.197 -17.831 2.558 1.00 0.00 C ATOM 1797 O ILE A 130 -1.372 -17.909 2.905 1.00 0.00 O ATOM 1798 CB ILE A 130 0.909 -15.648 3.069 1.00 0.00 C ATOM 1799 CG1 ILE A 130 1.599 -14.459 2.450 1.00 0.00 C ATOM 1800 CG2 ILE A 130 1.862 -16.386 3.986 1.00 0.00 C ATOM 1801 CD1 ILE A 130 2.666 -14.812 1.437 1.00 0.00 C ATOM 0 H ILE A 130 -1.016 -15.019 1.587 1.00 0.00 H new ATOM 0 HA ILE A 130 1.176 -16.801 1.282 1.00 0.00 H new ATOM 0 HB ILE A 130 0.069 -15.316 3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.850 -13.831 1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.051 -13.863 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.226 -15.706 4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 130 1.342 -17.220 4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 130 2.705 -16.764 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 130 3.110 -13.898 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.439 -15.413 1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 130 2.219 -15.380 0.621 1.00 0.00 H new ATOM 1813 N GLU A 131 0.666 -18.818 2.673 1.00 0.00 N ATOM 1814 CA GLU A 131 0.280 -20.137 3.157 1.00 0.00 C ATOM 1815 C GLU A 131 1.340 -20.710 4.094 1.00 0.00 C ATOM 1816 O GLU A 131 2.114 -19.969 4.698 1.00 0.00 O ATOM 1817 CB GLU A 131 0.044 -21.098 1.984 1.00 0.00 C ATOM 1818 CG GLU A 131 -0.915 -20.553 0.942 1.00 0.00 C ATOM 1819 CD GLU A 131 -1.506 -21.642 0.074 1.00 0.00 C ATOM 1820 OE1 GLU A 131 -2.513 -22.260 0.485 1.00 0.00 O ATOM 1821 OE2 GLU A 131 -0.959 -21.892 -1.017 1.00 0.00 O ATOM 0 H GLU A 131 1.654 -18.734 2.435 1.00 0.00 H new ATOM 0 HA GLU A 131 -0.650 -20.026 3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 131 0.999 -21.319 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -0.346 -22.040 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -1.720 -20.013 1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -0.392 -19.834 0.312 1.00 0.00 H new ATOM 1828 N GLU A 132 1.355 -22.034 4.206 1.00 0.00 N ATOM 1829 CA GLU A 132 2.285 -22.736 5.086 1.00 0.00 C ATOM 1830 C GLU A 132 3.739 -22.577 4.644 1.00 0.00 C ATOM 1831 O GLU A 132 4.051 -21.837 3.710 1.00 0.00 O ATOM 1832 CB GLU A 132 1.926 -24.221 5.144 1.00 0.00 C ATOM 1833 CG GLU A 132 1.253 -24.636 6.443 1.00 0.00 C ATOM 1834 CD GLU A 132 2.159 -24.444 7.644 1.00 0.00 C ATOM 1835 OE1 GLU A 132 2.995 -25.330 7.916 1.00 0.00 O ATOM 1836 OE2 GLU A 132 2.049 -23.401 8.313 1.00 0.00 O ATOM 0 H GLU A 132 0.725 -22.650 3.692 1.00 0.00 H new ATOM 0 HA GLU A 132 2.192 -22.288 6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 132 1.265 -24.459 4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 132 2.833 -24.811 5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 132 0.342 -24.054 6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 132 0.956 -25.683 6.378 1.00 0.00 H new ATOM 1843 N LYS A 133 4.603 -23.304 5.336 1.00 0.00 N ATOM 1844 CA LYS A 133 6.048 -23.259 5.141 1.00 0.00 C ATOM 1845 C LYS A 133 6.449 -23.314 3.663 1.00 0.00 C ATOM 1846 O LYS A 133 6.870 -22.312 3.089 1.00 0.00 O ATOM 1847 CB LYS A 133 6.663 -24.430 5.909 1.00 0.00 C ATOM 1848 CG LYS A 133 8.151 -24.630 5.692 1.00 0.00 C ATOM 1849 CD LYS A 133 8.648 -25.909 6.356 1.00 0.00 C ATOM 1850 CE LYS A 133 8.050 -27.165 5.726 1.00 0.00 C ATOM 1851 NZ LYS A 133 6.653 -27.444 6.175 1.00 0.00 N ATOM 0 H LYS A 133 4.315 -23.957 6.065 1.00 0.00 H new ATOM 0 HA LYS A 133 6.422 -22.307 5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 133 6.484 -24.281 6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.144 -25.345 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 133 8.361 -24.669 4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 133 8.696 -23.776 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 133 9.735 -25.953 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 133 8.399 -25.884 7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 133 8.061 -27.059 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 133 8.680 -28.020 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 6.566 -28.447 6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.428 -26.851 6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 5.991 -27.229 5.403 1.00 0.00 H new ATOM 1865 N SER A 134 6.308 -24.487 3.064 1.00 0.00 N ATOM 1866 CA SER A 134 6.668 -24.697 1.665 1.00 0.00 C ATOM 1867 C SER A 134 6.271 -26.115 1.268 1.00 0.00 C ATOM 1868 O SER A 134 6.836 -26.721 0.362 1.00 0.00 O ATOM 1869 CB SER A 134 8.175 -24.478 1.457 1.00 0.00 C ATOM 1870 OG SER A 134 8.495 -24.315 0.086 1.00 0.00 O ATOM 0 H SER A 134 5.943 -25.318 3.529 1.00 0.00 H new ATOM 0 HA SER A 134 6.140 -23.979 1.037 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.495 -23.597 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.726 -25.327 1.861 1.00 0.00 H new ATOM 0 HG SER A 134 8.089 -25.040 -0.433 1.00 0.00 H new ATOM 1876 N ASP A 135 5.278 -26.625 1.975 1.00 0.00 N ATOM 1877 CA ASP A 135 4.820 -27.998 1.812 1.00 0.00 C ATOM 1878 C ASP A 135 3.571 -28.044 0.966 1.00 0.00 C ATOM 1879 O ASP A 135 3.136 -29.105 0.525 1.00 0.00 O ATOM 1880 CB ASP A 135 4.539 -28.595 3.179 1.00 0.00 C ATOM 1881 CG ASP A 135 3.702 -27.681 4.046 1.00 0.00 C ATOM 1882 OD1 ASP A 135 4.284 -26.725 4.618 1.00 0.00 O ATOM 1883 OD2 ASP A 135 2.478 -27.906 4.154 1.00 0.00 O ATOM 0 H ASP A 135 4.763 -26.099 2.681 1.00 0.00 H new ATOM 0 HA ASP A 135 5.596 -28.575 1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 135 4.024 -29.548 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 135 5.483 -28.805 3.682 1.00 0.00 H new ATOM 1888 N ILE A 136 2.989 -26.879 0.783 1.00 0.00 N ATOM 1889 CA ILE A 136 1.831 -26.714 -0.088 1.00 0.00 C ATOM 1890 C ILE A 136 2.105 -27.318 -1.462 1.00 0.00 C ATOM 1891 O ILE A 136 3.166 -27.081 -2.038 1.00 0.00 O ATOM 1892 CB ILE A 136 1.469 -25.229 -0.245 1.00 0.00 C ATOM 1893 CG1 ILE A 136 1.325 -24.573 1.133 1.00 0.00 C ATOM 1894 CG2 ILE A 136 0.190 -25.084 -1.058 1.00 0.00 C ATOM 1895 CD1 ILE A 136 0.186 -25.121 1.962 1.00 0.00 C ATOM 0 H ILE A 136 3.300 -26.017 1.230 1.00 0.00 H new ATOM 0 HA ILE A 136 0.992 -27.234 0.373 1.00 0.00 H new ATOM 0 HB ILE A 136 2.270 -24.720 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 136 2.256 -24.703 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 136 1.180 -23.501 1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -0.057 -24.027 -1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 136 0.335 -25.522 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -0.625 -25.598 -0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 136 0.153 -24.604 2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.755 -24.967 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 136 0.338 -26.187 2.129 1.00 0.00 H new ATOM 1907 N GLU A 137 1.124 -28.074 -1.970 1.00 0.00 N ATOM 1908 CA GLU A 137 1.276 -28.907 -3.175 1.00 0.00 C ATOM 1909 C GLU A 137 2.666 -29.547 -3.246 1.00 0.00 C ATOM 1910 O GLU A 137 3.534 -29.103 -3.996 1.00 0.00 O ATOM 1911 CB GLU A 137 0.942 -28.135 -4.470 1.00 0.00 C ATOM 1912 CG GLU A 137 1.774 -26.885 -4.726 1.00 0.00 C ATOM 1913 CD GLU A 137 1.503 -26.283 -6.092 1.00 0.00 C ATOM 1914 OE1 GLU A 137 0.576 -25.458 -6.209 1.00 0.00 O ATOM 1915 OE2 GLU A 137 2.214 -26.637 -7.061 1.00 0.00 O ATOM 0 H GLU A 137 0.194 -28.127 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 137 0.546 -29.712 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 137 1.065 -28.811 -5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -0.110 -27.850 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 137 1.559 -26.144 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 137 2.832 -27.133 -4.644 1.00 0.00 H new ATOM 1922 N THR A 138 2.859 -30.596 -2.458 1.00 0.00 N ATOM 1923 CA THR A 138 4.149 -31.270 -2.348 1.00 0.00 C ATOM 1924 C THR A 138 4.677 -31.702 -3.717 1.00 0.00 C ATOM 1925 O THR A 138 4.151 -32.634 -4.329 1.00 0.00 O ATOM 1926 CB THR A 138 4.035 -32.509 -1.445 1.00 0.00 C ATOM 1927 OG1 THR A 138 3.248 -32.193 -0.289 1.00 0.00 O ATOM 1928 CG2 THR A 138 5.410 -32.986 -1.007 1.00 0.00 C ATOM 0 H THR A 138 2.127 -31.005 -1.877 1.00 0.00 H new ATOM 0 HA THR A 138 4.847 -30.556 -1.911 1.00 0.00 H new ATOM 0 HB THR A 138 3.554 -33.306 -2.012 1.00 0.00 H new ATOM 0 HG1 THR A 138 3.332 -31.238 -0.087 1.00 0.00 H new ATOM 0 HG21 THR A 138 5.305 -33.863 -0.369 1.00 0.00 H new ATOM 0 HG22 THR A 138 6.002 -33.245 -1.885 1.00 0.00 H new ATOM 0 HG23 THR A 138 5.911 -32.192 -0.453 1.00 0.00 H new ATOM 1936 N LEU A 139 5.705 -31.010 -4.198 1.00 0.00 N ATOM 1937 CA LEU A 139 6.310 -31.337 -5.483 1.00 0.00 C ATOM 1938 C LEU A 139 7.127 -32.616 -5.395 1.00 0.00 C ATOM 1939 O LEU A 139 7.884 -32.823 -4.444 1.00 0.00 O ATOM 1940 CB LEU A 139 7.208 -30.199 -5.990 1.00 0.00 C ATOM 1941 CG LEU A 139 6.520 -29.132 -6.850 1.00 0.00 C ATOM 1942 CD1 LEU A 139 5.630 -28.238 -6.008 1.00 0.00 C ATOM 1943 CD2 LEU A 139 7.558 -28.307 -7.594 1.00 0.00 C ATOM 0 H LEU A 139 6.136 -30.220 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 139 5.492 -31.481 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 139 7.659 -29.707 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 139 8.021 -30.635 -6.570 1.00 0.00 H new ATOM 0 HG LEU A 139 5.887 -29.639 -7.578 1.00 0.00 H new ATOM 0 HD11 LEU A 139 5.156 -27.492 -6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 139 4.862 -28.841 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 139 6.231 -27.737 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 139 7.057 -27.553 -8.201 1.00 0.00 H new ATOM 0 HD22 LEU A 139 8.216 -27.817 -6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 139 8.147 -28.959 -8.239 1.00 0.00 H new ATOM 1955 N ASP A 140 6.950 -33.475 -6.382 1.00 0.00 N ATOM 1956 CA ASP A 140 7.767 -34.672 -6.518 1.00 0.00 C ATOM 1957 C ASP A 140 8.906 -34.382 -7.476 1.00 0.00 C ATOM 1958 O ASP A 140 9.973 -34.993 -7.414 1.00 0.00 O ATOM 1959 CB ASP A 140 6.926 -35.845 -7.031 1.00 0.00 C ATOM 1960 CG ASP A 140 7.752 -37.084 -7.316 1.00 0.00 C ATOM 1961 OD1 ASP A 140 8.127 -37.794 -6.357 1.00 0.00 O ATOM 1962 OD2 ASP A 140 8.020 -37.364 -8.502 1.00 0.00 O ATOM 0 H ASP A 140 6.242 -33.366 -7.108 1.00 0.00 H new ATOM 0 HA ASP A 140 8.168 -34.949 -5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 140 6.161 -36.087 -6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 140 6.408 -35.543 -7.941 1.00 0.00 H new ATOM 1967 N ILE A 141 8.669 -33.421 -8.353 1.00 0.00 N ATOM 1968 CA ILE A 141 9.669 -32.989 -9.311 1.00 0.00 C ATOM 1969 C ILE A 141 10.271 -31.649 -8.895 1.00 0.00 C ATOM 1970 O ILE A 141 11.335 -31.655 -8.240 1.00 0.00 O ATOM 1971 CB ILE A 141 9.085 -32.889 -10.733 1.00 0.00 C ATOM 1972 CG1 ILE A 141 7.660 -32.322 -10.703 1.00 0.00 C ATOM 1973 CG2 ILE A 141 9.117 -34.257 -11.387 1.00 0.00 C ATOM 1974 CD1 ILE A 141 7.053 -32.119 -12.075 1.00 0.00 C ATOM 0 H ILE A 141 7.782 -32.921 -8.420 1.00 0.00 H new ATOM 0 HA ILE A 141 10.457 -33.742 -9.322 1.00 0.00 H new ATOM 0 HB ILE A 141 9.693 -32.202 -11.321 1.00 0.00 H new ATOM 0 HG12 ILE A 141 7.023 -32.996 -10.130 1.00 0.00 H new ATOM 0 HG13 ILE A 141 7.670 -31.368 -10.176 1.00 0.00 H new ATOM 0 HG21 ILE A 141 8.704 -34.189 -12.393 1.00 0.00 H new ATOM 0 HG22 ILE A 141 10.147 -34.611 -11.440 1.00 0.00 H new ATOM 0 HG23 ILE A 141 8.523 -34.956 -10.798 1.00 0.00 H new ATOM 0 HD11 ILE A 141 6.046 -31.716 -11.971 1.00 0.00 H new ATOM 0 HD12 ILE A 141 7.666 -31.421 -12.645 1.00 0.00 H new ATOM 0 HD13 ILE A 141 7.009 -33.074 -12.599 1.00 0.00 H new TER 1986 ILE A 141