USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 838 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 73 HIS : no HE2:sc= -0.244 K(o=2.4,f=-0.098!) USER MOD Set 1.2: A 77 CYS SG : rot -129:sc= 0.329 USER MOD Set 1.3: A 82 CYS SG : rot 156:sc= 1.44 USER MOD Set 1.4: A 85 CYS SG : rot 115:sc= 0.867 USER MOD Set 2.1: A 75 LYS NZ :NH3+ -158:sc= 0.99 (180deg=0) USER MOD Set 2.2: B 147 GLN : amide:sc= 2.44 K(o=3.4,f=-4.6!) USER MOD Set 3.1: A 49 HIS :FLIP no HD1:sc= 0.0877 F(o=-0.38,f=1.8) USER MOD Set 3.2: A 53 CYS SG : rot 80:sc= 1.1 USER MOD Set 3.3: A 59 CYS SG : rot -165:sc= 0.422 USER MOD Set 3.4: A 64 CYS SG : rot 126:sc= 0.194 USER MOD Set 4.1: A 51 THR OG1 : rot 79:sc= 0.0542 USER MOD Set 4.2: A 52 HIS : no HE2:sc= 1.21 K(o=1.3,f=-3.5!) USER MOD Set 5.1: A 50 MET CE :methyl 178:sc= -0.387 (180deg=-0.402) USER MOD Set 5.2: A 67 SER OG : rot -74:sc= 1.18 USER MOD Set 6.1: A 18 HIS :FLIP no HD1:sc= -0.0382 F(o=-0.39,f=3) USER MOD Set 6.2: A 22 CYS SG : rot 167:sc= 0.974 USER MOD Set 6.3: A 40 CYS SG : rot 101:sc= 0.654! USER MOD Set 6.4: A 44 LYS NZ :NH3+ -179:sc= 1.42 (180deg=0) USER MOD Set 7.1: A 11 GLN : amide:sc= 1.58 K(o=1.6,f=-0.88) USER MOD Set 7.2: A 12 GLN : amide:sc= 0.356 K(o=1.6,f=-1.5) USER MOD Set 7.3: A 43 MET CE :methyl 177:sc= -0.368 (180deg=-0.4) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.0796 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -157:sc= 0.976 (180deg=0.73) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= 1.54 (180deg=1.21) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0.578 (180deg=0.506) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0.76 K(o=0.76,f=-2.6!) USER MOD Single : A 66 SER OG : rot 81:sc= 1.05 USER MOD Single : A 69 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.62) USER MOD Single : A 72 SER OG : rot 60:sc= 2.11 USER MOD Single : A 76 ASN : amide:sc= 0.868 K(o=0.87,f=-0.27) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0703 X(o=-0.07,f=-0.07) USER MOD Single : A 89 LYS NZ :NH3+ -153:sc= 1.01 (180deg=0.509) USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 THR OG1 : rot 180:sc= 0.215 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot 80:sc= 0.249 USER MOD Single : B 126 ASN : amide:sc= 1.9 K(o=1.9,f=-4.4!) USER MOD Single : B 130 GLN : amide:sc= 0.907 K(o=0.91,f=-2.1!) USER MOD Single : B 137 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : B 149 ASN : amide:sc= 0.749 K(o=0.75,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.483 -12.014 16.191 1.00 0.00 N ATOM 2 CA ALA A 1 5.889 -10.712 15.795 1.00 0.00 C ATOM 3 C ALA A 1 6.083 -9.661 16.899 1.00 0.00 C ATOM 4 O ALA A 1 6.456 -9.990 18.026 1.00 0.00 O ATOM 5 CB ALA A 1 4.414 -10.878 15.387 1.00 0.00 C ATOM 0 H1 ALA A 1 7.297 -12.225 15.578 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.798 -11.965 17.181 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.771 -12.765 16.092 1.00 0.00 H new ATOM 0 HA ALA A 1 6.417 -10.345 14.915 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.004 -9.909 15.102 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.345 -11.564 14.543 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.847 -11.279 16.227 1.00 0.00 H new ATOM 13 N ASP A 2 5.861 -8.385 16.577 1.00 0.00 N ATOM 14 CA ASP A 2 6.053 -7.220 17.451 1.00 0.00 C ATOM 15 C ASP A 2 4.924 -6.183 17.238 1.00 0.00 C ATOM 16 O ASP A 2 4.806 -5.648 16.131 1.00 0.00 O ATOM 17 CB ASP A 2 7.434 -6.628 17.112 1.00 0.00 C ATOM 18 CG ASP A 2 7.817 -5.346 17.871 1.00 0.00 C ATOM 19 OD1 ASP A 2 7.093 -4.921 18.801 1.00 0.00 O ATOM 20 OD2 ASP A 2 8.874 -4.769 17.519 1.00 0.00 O ATOM 0 H ASP A 2 5.525 -8.120 15.651 1.00 0.00 H new ATOM 0 HA ASP A 2 6.013 -7.508 18.501 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.192 -7.386 17.311 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.466 -6.418 16.043 1.00 0.00 H new ATOM 25 N PRO A 3 4.091 -5.874 18.257 1.00 0.00 N ATOM 26 CA PRO A 3 3.016 -4.881 18.167 1.00 0.00 C ATOM 27 C PRO A 3 3.430 -3.556 17.508 1.00 0.00 C ATOM 28 O PRO A 3 2.703 -3.046 16.660 1.00 0.00 O ATOM 29 CB PRO A 3 2.520 -4.671 19.602 1.00 0.00 C ATOM 30 CG PRO A 3 2.799 -6.021 20.255 1.00 0.00 C ATOM 31 CD PRO A 3 4.108 -6.453 19.595 1.00 0.00 C ATOM 0 HA PRO A 3 2.231 -5.253 17.509 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.054 -3.862 20.101 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.460 -4.419 19.631 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.901 -5.934 21.337 1.00 0.00 H new ATOM 0 HG3 PRO A 3 1.997 -6.735 20.067 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.968 -6.098 20.163 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.183 -7.539 19.550 1.00 0.00 H new ATOM 39 N GLU A 4 4.594 -3.000 17.857 1.00 0.00 N ATOM 40 CA GLU A 4 5.108 -1.752 17.269 1.00 0.00 C ATOM 41 C GLU A 4 5.289 -1.860 15.746 1.00 0.00 C ATOM 42 O GLU A 4 4.875 -0.964 15.007 1.00 0.00 O ATOM 43 CB GLU A 4 6.420 -1.322 17.938 1.00 0.00 C ATOM 44 CG GLU A 4 6.238 -0.975 19.424 1.00 0.00 C ATOM 45 CD GLU A 4 7.571 -0.547 20.076 1.00 0.00 C ATOM 46 OE1 GLU A 4 8.162 0.479 19.656 1.00 0.00 O ATOM 47 OE2 GLU A 4 8.028 -1.216 21.035 1.00 0.00 O ATOM 0 H GLU A 4 5.213 -3.403 18.560 1.00 0.00 H new ATOM 0 HA GLU A 4 4.357 -0.984 17.456 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.152 -2.124 17.843 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.825 -0.457 17.413 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.509 -0.171 19.524 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.834 -1.838 19.953 1.00 0.00 H new ATOM 54 N LYS A 5 5.851 -2.972 15.250 1.00 0.00 N ATOM 55 CA LYS A 5 5.994 -3.237 13.807 1.00 0.00 C ATOM 56 C LYS A 5 4.629 -3.277 13.120 1.00 0.00 C ATOM 57 O LYS A 5 4.509 -2.759 12.014 1.00 0.00 O ATOM 58 CB LYS A 5 6.816 -4.505 13.527 1.00 0.00 C ATOM 59 CG LYS A 5 8.278 -4.306 13.948 1.00 0.00 C ATOM 60 CD LYS A 5 9.150 -5.516 13.585 1.00 0.00 C ATOM 61 CE LYS A 5 10.591 -5.323 14.076 1.00 0.00 C ATOM 62 NZ LYS A 5 10.728 -5.552 15.541 1.00 0.00 N ATOM 0 H LYS A 5 6.221 -3.717 15.839 1.00 0.00 H new ATOM 0 HA LYS A 5 6.556 -2.408 13.378 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.388 -5.349 14.068 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.768 -4.749 12.466 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.676 -3.414 13.465 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.326 -4.134 15.023 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.729 -6.418 14.028 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.146 -5.660 12.505 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.249 -6.008 13.541 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.921 -4.312 13.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.571 -5.054 15.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.884 -5.191 16.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.825 -6.571 15.726 1.00 0.00 H new ATOM 76 N ARG A 6 3.586 -3.815 13.767 1.00 0.00 N ATOM 77 CA ARG A 6 2.208 -3.797 13.235 1.00 0.00 C ATOM 78 C ARG A 6 1.709 -2.356 13.049 1.00 0.00 C ATOM 79 O ARG A 6 1.187 -2.052 11.979 1.00 0.00 O ATOM 80 CB ARG A 6 1.255 -4.670 14.067 1.00 0.00 C ATOM 81 CG ARG A 6 1.565 -6.160 13.848 1.00 0.00 C ATOM 82 CD ARG A 6 0.634 -7.058 14.670 1.00 0.00 C ATOM 83 NE ARG A 6 0.759 -8.465 14.245 1.00 0.00 N ATOM 84 CZ ARG A 6 0.508 -9.560 14.935 1.00 0.00 C ATOM 85 NH1 ARG A 6 0.117 -9.538 16.178 1.00 0.00 N ATOM 86 NH2 ARG A 6 0.650 -10.718 14.359 1.00 0.00 N ATOM 0 H ARG A 6 3.669 -4.276 14.673 1.00 0.00 H new ATOM 0 HA ARG A 6 2.223 -4.251 12.244 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.354 -4.423 15.124 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.222 -4.462 13.787 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.463 -6.401 12.790 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.601 -6.361 14.123 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.877 -6.970 15.729 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.398 -6.727 14.551 1.00 0.00 H new ATOM 0 HE ARG A 6 1.083 -8.610 13.289 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.007 -8.647 16.658 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.065 -10.412 16.671 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.952 -10.770 13.386 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.459 -11.574 14.880 1.00 0.00 H new ATOM 100 N LYS A 7 1.925 -1.454 14.020 1.00 0.00 N ATOM 101 CA LYS A 7 1.589 -0.009 13.911 1.00 0.00 C ATOM 102 C LYS A 7 2.233 0.618 12.665 1.00 0.00 C ATOM 103 O LYS A 7 1.585 1.344 11.909 1.00 0.00 O ATOM 104 CB LYS A 7 2.015 0.789 15.162 1.00 0.00 C ATOM 105 CG LYS A 7 1.480 0.233 16.489 1.00 0.00 C ATOM 106 CD LYS A 7 1.990 1.012 17.710 1.00 0.00 C ATOM 107 CE LYS A 7 1.405 2.428 17.784 1.00 0.00 C ATOM 108 NZ LYS A 7 1.790 3.111 19.047 1.00 0.00 N ATOM 0 H LYS A 7 2.343 -1.702 14.917 1.00 0.00 H new ATOM 0 HA LYS A 7 0.504 0.046 13.825 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.104 0.815 15.207 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.676 1.819 15.052 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.390 0.260 16.476 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.772 -0.813 16.583 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.733 0.467 18.619 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.078 1.072 17.671 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.754 3.012 16.932 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.318 2.378 17.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.378 4.066 19.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.435 2.566 19.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.826 3.180 19.102 1.00 0.00 H new ATOM 122 N LEU A 8 3.517 0.329 12.448 1.00 0.00 N ATOM 123 CA LEU A 8 4.299 0.786 11.295 1.00 0.00 C ATOM 124 C LEU A 8 3.744 0.200 9.982 1.00 0.00 C ATOM 125 O LEU A 8 3.481 0.948 9.044 1.00 0.00 O ATOM 126 CB LEU A 8 5.787 0.456 11.528 1.00 0.00 C ATOM 127 CG LEU A 8 6.398 1.189 12.741 1.00 0.00 C ATOM 128 CD1 LEU A 8 7.798 0.647 13.031 1.00 0.00 C ATOM 129 CD2 LEU A 8 6.475 2.702 12.525 1.00 0.00 C ATOM 0 H LEU A 8 4.060 -0.248 13.090 1.00 0.00 H new ATOM 0 HA LEU A 8 4.213 1.868 11.193 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.894 -0.619 11.672 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.353 0.716 10.634 1.00 0.00 H new ATOM 0 HG LEU A 8 5.741 1.005 13.591 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.220 1.171 13.889 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.737 -0.419 13.251 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.436 0.802 12.161 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.912 3.173 13.405 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.096 2.914 11.654 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.473 3.098 12.361 1.00 0.00 H new ATOM 141 N ILE A 9 3.520 -1.115 9.916 1.00 0.00 N ATOM 142 CA ILE A 9 2.916 -1.822 8.771 1.00 0.00 C ATOM 143 C ILE A 9 1.563 -1.185 8.400 1.00 0.00 C ATOM 144 O ILE A 9 1.350 -0.873 7.230 1.00 0.00 O ATOM 145 CB ILE A 9 2.831 -3.340 9.058 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.250 -3.953 8.982 1.00 0.00 C ATOM 147 CG2 ILE A 9 1.903 -4.076 8.075 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.372 -5.327 9.648 1.00 0.00 C ATOM 0 H ILE A 9 3.761 -1.744 10.682 1.00 0.00 H new ATOM 0 HA ILE A 9 3.553 -1.714 7.893 1.00 0.00 H new ATOM 0 HB ILE A 9 2.409 -3.462 10.056 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.541 -4.041 7.935 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.956 -3.269 9.453 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.880 -5.137 8.322 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.896 -3.665 8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.275 -3.948 7.058 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.396 -5.688 9.552 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.114 -5.244 10.704 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.693 -6.028 9.163 1.00 0.00 H new ATOM 160 N GLN A 10 0.676 -0.947 9.376 1.00 0.00 N ATOM 161 CA GLN A 10 -0.618 -0.267 9.197 1.00 0.00 C ATOM 162 C GLN A 10 -0.442 1.073 8.464 1.00 0.00 C ATOM 163 O GLN A 10 -1.083 1.302 7.436 1.00 0.00 O ATOM 164 CB GLN A 10 -1.308 -0.048 10.555 1.00 0.00 C ATOM 165 CG GLN A 10 -1.940 -1.325 11.116 1.00 0.00 C ATOM 166 CD GLN A 10 -2.464 -1.127 12.536 1.00 0.00 C ATOM 167 OE1 GLN A 10 -1.824 -1.465 13.524 1.00 0.00 O ATOM 168 NE2 GLN A 10 -3.649 -0.576 12.699 1.00 0.00 N ATOM 0 H GLN A 10 0.842 -1.230 10.342 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.251 -0.909 8.584 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.579 0.335 11.269 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.079 0.715 10.446 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.758 -1.640 10.468 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.202 -2.127 11.110 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.194 -0.289 11.886 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.022 -0.436 13.638 1.00 0.00 H new ATOM 177 N GLN A 11 0.454 1.936 8.966 1.00 0.00 N ATOM 178 CA GLN A 11 0.794 3.219 8.345 1.00 0.00 C ATOM 179 C GLN A 11 1.206 3.020 6.877 1.00 0.00 C ATOM 180 O GLN A 11 0.613 3.625 5.985 1.00 0.00 O ATOM 181 CB GLN A 11 1.905 3.926 9.145 1.00 0.00 C ATOM 182 CG GLN A 11 2.174 5.344 8.618 1.00 0.00 C ATOM 183 CD GLN A 11 3.464 5.945 9.161 1.00 0.00 C ATOM 184 OE1 GLN A 11 3.501 6.543 10.222 1.00 0.00 O ATOM 185 NE2 GLN A 11 4.574 5.797 8.476 1.00 0.00 N ATOM 0 H GLN A 11 0.969 1.757 9.828 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.090 3.857 8.359 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.620 3.977 10.196 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.822 3.338 9.091 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.222 5.318 7.529 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.338 5.990 8.885 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.561 5.299 7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.449 6.180 8.834 1.00 0.00 H new ATOM 194 N GLN A 12 2.211 2.176 6.618 1.00 0.00 N ATOM 195 CA GLN A 12 2.715 1.900 5.268 1.00 0.00 C ATOM 196 C GLN A 12 1.641 1.376 4.306 1.00 0.00 C ATOM 197 O GLN A 12 1.620 1.807 3.155 1.00 0.00 O ATOM 198 CB GLN A 12 3.945 0.975 5.312 1.00 0.00 C ATOM 199 CG GLN A 12 5.134 1.581 6.080 1.00 0.00 C ATOM 200 CD GLN A 12 5.423 3.024 5.688 1.00 0.00 C ATOM 201 OE1 GLN A 12 5.034 3.969 6.358 1.00 0.00 O ATOM 202 NE2 GLN A 12 6.090 3.253 4.581 1.00 0.00 N ATOM 0 H GLN A 12 2.703 1.660 7.348 1.00 0.00 H new ATOM 0 HA GLN A 12 3.027 2.861 4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.664 0.030 5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.257 0.748 4.293 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.930 1.535 7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.023 0.976 5.899 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.420 2.472 4.014 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.279 4.212 4.288 1.00 0.00 H new ATOM 211 N LEU A 13 0.738 0.496 4.755 1.00 0.00 N ATOM 212 CA LEU A 13 -0.386 -0.030 3.979 1.00 0.00 C ATOM 213 C LEU A 13 -1.234 1.151 3.463 1.00 0.00 C ATOM 214 O LEU A 13 -1.402 1.322 2.257 1.00 0.00 O ATOM 215 CB LEU A 13 -1.153 -1.051 4.855 1.00 0.00 C ATOM 216 CG LEU A 13 -1.847 -2.181 4.073 1.00 0.00 C ATOM 217 CD1 LEU A 13 -2.330 -3.291 5.005 1.00 0.00 C ATOM 218 CD2 LEU A 13 -3.019 -1.679 3.248 1.00 0.00 C ATOM 0 H LEU A 13 0.773 0.119 5.702 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.063 -0.573 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.456 -1.495 5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.904 -0.517 5.437 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.094 -2.581 3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.815 -4.072 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.479 -3.713 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.041 -2.880 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.474 -2.515 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.758 -1.222 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.667 -0.939 2.529 1.00 0.00 H new ATOM 230 N VAL A 14 -1.708 2.005 4.375 1.00 0.00 N ATOM 231 CA VAL A 14 -2.483 3.225 4.080 1.00 0.00 C ATOM 232 C VAL A 14 -1.720 4.200 3.171 1.00 0.00 C ATOM 233 O VAL A 14 -2.273 4.626 2.155 1.00 0.00 O ATOM 234 CB VAL A 14 -2.964 3.881 5.390 1.00 0.00 C ATOM 235 CG1 VAL A 14 -3.665 5.233 5.194 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.962 2.927 6.058 1.00 0.00 C ATOM 0 H VAL A 14 -1.560 1.866 5.375 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.366 2.935 3.511 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.076 4.067 5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.972 5.627 6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.978 5.933 4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.543 5.099 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.319 3.367 6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.806 2.757 5.390 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.471 1.977 6.271 1.00 0.00 H new ATOM 246 N LEU A 15 -0.465 4.551 3.491 1.00 0.00 N ATOM 247 CA LEU A 15 0.348 5.450 2.657 1.00 0.00 C ATOM 248 C LEU A 15 0.519 4.923 1.227 1.00 0.00 C ATOM 249 O LEU A 15 0.384 5.691 0.280 1.00 0.00 O ATOM 250 CB LEU A 15 1.739 5.730 3.256 1.00 0.00 C ATOM 251 CG LEU A 15 1.807 6.529 4.563 1.00 0.00 C ATOM 252 CD1 LEU A 15 3.259 6.940 4.816 1.00 0.00 C ATOM 253 CD2 LEU A 15 0.970 7.806 4.528 1.00 0.00 C ATOM 0 H LEU A 15 0.013 4.222 4.330 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.211 6.385 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.231 4.772 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.325 6.262 2.507 1.00 0.00 H new ATOM 0 HG LEU A 15 1.413 5.884 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.320 7.509 5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.881 6.048 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.612 7.556 3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.060 8.326 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.327 8.453 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.075 7.551 4.351 1.00 0.00 H new ATOM 265 N LEU A 16 0.825 3.635 1.054 1.00 0.00 N ATOM 266 CA LEU A 16 1.009 2.996 -0.252 1.00 0.00 C ATOM 267 C LEU A 16 -0.259 3.076 -1.122 1.00 0.00 C ATOM 268 O LEU A 16 -0.189 3.427 -2.301 1.00 0.00 O ATOM 269 CB LEU A 16 1.468 1.549 -0.020 1.00 0.00 C ATOM 270 CG LEU A 16 1.790 0.790 -1.312 1.00 0.00 C ATOM 271 CD1 LEU A 16 2.984 1.401 -2.042 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.155 -0.642 -0.947 1.00 0.00 C ATOM 0 H LEU A 16 0.955 2.993 1.836 1.00 0.00 H new ATOM 0 HA LEU A 16 1.775 3.531 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.352 1.555 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.689 1.012 0.522 1.00 0.00 H new ATOM 0 HG LEU A 16 0.917 0.839 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.182 0.836 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.762 2.437 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.861 1.367 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.388 -1.200 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.024 -0.640 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.315 -1.113 -0.437 1.00 0.00 H new ATOM 284 N LEU A 17 -1.421 2.776 -0.536 1.00 0.00 N ATOM 285 CA LEU A 17 -2.729 2.892 -1.192 1.00 0.00 C ATOM 286 C LEU A 17 -2.978 4.343 -1.623 1.00 0.00 C ATOM 287 O LEU A 17 -3.302 4.596 -2.788 1.00 0.00 O ATOM 288 CB LEU A 17 -3.828 2.389 -0.241 1.00 0.00 C ATOM 289 CG LEU A 17 -3.753 0.884 0.071 1.00 0.00 C ATOM 290 CD1 LEU A 17 -4.596 0.587 1.307 1.00 0.00 C ATOM 291 CD2 LEU A 17 -4.259 0.023 -1.081 1.00 0.00 C ATOM 0 H LEU A 17 -1.482 2.439 0.425 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.745 2.274 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.766 2.946 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.801 2.609 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.704 0.638 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.547 -0.478 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.213 1.156 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.631 0.871 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.184 -1.030 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.300 0.271 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.655 0.212 -1.969 1.00 0.00 H new ATOM 303 N HIS A 18 -2.789 5.295 -0.702 1.00 0.00 N ATOM 304 CA HIS A 18 -2.904 6.723 -0.985 1.00 0.00 C ATOM 305 C HIS A 18 -1.965 7.135 -2.132 1.00 0.00 C ATOM 306 O HIS A 18 -2.434 7.747 -3.080 1.00 0.00 O ATOM 307 CB HIS A 18 -2.667 7.562 0.279 1.00 0.00 C ATOM 308 CG HIS A 18 -2.719 9.044 -0.011 1.00 0.00 C ATOM 309 ND1 HIS A 18 -1.701 9.780 -0.556 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 -3.808 9.879 0.117 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 -2.167 11.082 -0.771 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 -3.443 11.094 -0.341 1.00 0.00 N flip ATOM 0 H HIS A 18 -2.550 5.090 0.268 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.924 6.921 -1.313 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.419 7.312 1.027 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.696 7.309 0.706 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.776 9.610 0.512 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.616 11.908 -1.195 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.052 11.912 -0.359 1.00 0.00 H new ATOM 320 N ALA A 19 -0.670 6.801 -2.074 1.00 0.00 N ATOM 321 CA ALA A 19 0.361 7.121 -3.070 1.00 0.00 C ATOM 322 C ALA A 19 -0.103 6.922 -4.525 1.00 0.00 C ATOM 323 O ALA A 19 0.038 7.828 -5.346 1.00 0.00 O ATOM 324 CB ALA A 19 1.627 6.323 -2.752 1.00 0.00 C ATOM 0 H ALA A 19 -0.292 6.271 -1.288 1.00 0.00 H new ATOM 0 HA ALA A 19 0.577 8.187 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.398 6.555 -3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.984 6.588 -1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.403 5.257 -2.785 1.00 0.00 H new ATOM 330 N HIS A 20 -0.672 5.759 -4.875 1.00 0.00 N ATOM 331 CA HIS A 20 -1.184 5.546 -6.239 1.00 0.00 C ATOM 332 C HIS A 20 -2.380 6.459 -6.559 1.00 0.00 C ATOM 333 O HIS A 20 -2.391 7.093 -7.616 1.00 0.00 O ATOM 334 CB HIS A 20 -1.461 4.066 -6.504 1.00 0.00 C ATOM 335 CG HIS A 20 -1.877 3.799 -7.931 1.00 0.00 C ATOM 336 ND1 HIS A 20 -1.226 4.264 -9.062 1.00 0.00 N ATOM 337 CD2 HIS A 20 -2.986 3.105 -8.332 1.00 0.00 C ATOM 338 CE1 HIS A 20 -1.933 3.860 -10.134 1.00 0.00 C ATOM 339 NE2 HIS A 20 -3.005 3.150 -9.716 1.00 0.00 N ATOM 0 H HIS A 20 -0.789 4.964 -4.246 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.401 5.841 -6.938 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.567 3.486 -6.276 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.245 3.721 -5.830 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.707 2.617 -7.693 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.684 4.070 -11.164 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.708 2.721 -10.318 1.00 0.00 H new ATOM 348 N LYS A 21 -3.357 6.582 -5.648 1.00 0.00 N ATOM 349 CA LYS A 21 -4.486 7.534 -5.798 1.00 0.00 C ATOM 350 C LYS A 21 -3.990 8.972 -5.994 1.00 0.00 C ATOM 351 O LYS A 21 -4.511 9.682 -6.850 1.00 0.00 O ATOM 352 CB LYS A 21 -5.464 7.450 -4.607 1.00 0.00 C ATOM 353 CG LYS A 21 -6.685 6.579 -4.925 1.00 0.00 C ATOM 354 CD LYS A 21 -6.280 5.132 -5.245 1.00 0.00 C ATOM 355 CE LYS A 21 -7.512 4.238 -5.280 1.00 0.00 C ATOM 356 NZ LYS A 21 -8.393 4.498 -6.448 1.00 0.00 N ATOM 0 H LYS A 21 -3.394 6.032 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.029 7.242 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.944 7.043 -3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.795 8.453 -4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.369 6.587 -4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.224 7.002 -5.773 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.767 5.094 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.579 4.768 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.195 3.195 -5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.084 4.382 -4.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.326 4.069 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.502 5.524 -6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.968 4.084 -7.302 1.00 0.00 H new ATOM 370 N CYS A 22 -2.982 9.383 -5.228 1.00 0.00 N ATOM 371 CA CYS A 22 -2.314 10.675 -5.248 1.00 0.00 C ATOM 372 C CYS A 22 -1.829 11.029 -6.668 1.00 0.00 C ATOM 373 O CYS A 22 -2.145 12.114 -7.157 1.00 0.00 O ATOM 374 CB CYS A 22 -1.209 10.639 -4.185 1.00 0.00 C ATOM 375 SG CYS A 22 -0.554 12.283 -3.828 1.00 0.00 S ATOM 0 H CYS A 22 -2.581 8.767 -4.520 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.998 11.485 -4.994 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.603 10.200 -3.269 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.400 9.993 -4.526 1.00 0.00 H new ATOM 0 HG CYS A 22 0.171 12.237 -2.750 1.00 0.00 H new ATOM 627 N HIS A 39 5.955 12.213 3.319 1.00 0.00 N ATOM 628 CA HIS A 39 6.124 10.754 3.215 1.00 0.00 C ATOM 629 C HIS A 39 5.570 10.169 1.903 1.00 0.00 C ATOM 630 O HIS A 39 6.105 9.189 1.384 1.00 0.00 O ATOM 631 CB HIS A 39 5.457 10.097 4.439 1.00 0.00 C ATOM 632 CG HIS A 39 5.794 10.766 5.754 1.00 0.00 C ATOM 633 ND1 HIS A 39 7.063 10.957 6.274 1.00 0.00 N ATOM 634 CD2 HIS A 39 4.898 11.368 6.592 1.00 0.00 C ATOM 635 CE1 HIS A 39 6.931 11.645 7.428 1.00 0.00 C ATOM 636 NE2 HIS A 39 5.624 11.903 7.643 1.00 0.00 N ATOM 0 HA HIS A 39 7.192 10.537 3.200 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.376 10.111 4.302 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.759 9.051 4.487 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.827 11.417 6.460 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.742 11.942 8.076 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.237 12.406 8.442 1.00 0.00 H new ATOM 645 N CYS A 40 4.514 10.783 1.365 1.00 0.00 N ATOM 646 CA CYS A 40 3.837 10.425 0.118 1.00 0.00 C ATOM 647 C CYS A 40 4.824 10.321 -1.065 1.00 0.00 C ATOM 648 O CYS A 40 4.776 9.365 -1.846 1.00 0.00 O ATOM 649 CB CYS A 40 2.731 11.469 -0.097 1.00 0.00 C ATOM 650 SG CYS A 40 1.398 10.819 -1.132 1.00 0.00 S ATOM 0 H CYS A 40 4.084 11.591 1.815 1.00 0.00 H new ATOM 0 HA CYS A 40 3.394 9.431 0.181 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.327 11.777 0.868 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.155 12.358 -0.563 1.00 0.00 H new ATOM 0 HG CYS A 40 0.401 10.457 -0.380 1.00 0.00 H new ATOM 655 N ARG A 41 5.769 11.273 -1.168 1.00 0.00 N ATOM 656 CA ARG A 41 6.857 11.292 -2.165 1.00 0.00 C ATOM 657 C ARG A 41 7.625 9.967 -2.157 1.00 0.00 C ATOM 658 O ARG A 41 7.814 9.368 -3.216 1.00 0.00 O ATOM 659 CB ARG A 41 7.775 12.503 -1.911 1.00 0.00 C ATOM 660 CG ARG A 41 8.863 12.652 -2.991 1.00 0.00 C ATOM 661 CD ARG A 41 9.776 13.859 -2.741 1.00 0.00 C ATOM 662 NE ARG A 41 9.070 15.146 -2.910 1.00 0.00 N ATOM 663 CZ ARG A 41 9.568 16.354 -2.715 1.00 0.00 C ATOM 664 NH1 ARG A 41 10.799 16.546 -2.330 1.00 0.00 N ATOM 665 NH2 ARG A 41 8.828 17.409 -2.907 1.00 0.00 N ATOM 0 H ARG A 41 5.798 12.076 -0.540 1.00 0.00 H new ATOM 0 HA ARG A 41 6.432 11.401 -3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.173 13.411 -1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.248 12.398 -0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.466 11.745 -3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.390 12.754 -3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.182 13.801 -1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.622 13.819 -3.427 1.00 0.00 H new ATOM 0 HE ARG A 41 8.096 15.097 -3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.413 15.748 -2.169 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.148 17.494 -2.190 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.859 17.304 -3.209 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.217 18.339 -2.755 1.00 0.00 H new ATOM 679 N THR A 42 8.040 9.500 -0.977 1.00 0.00 N ATOM 680 CA THR A 42 8.736 8.216 -0.782 1.00 0.00 C ATOM 681 C THR A 42 7.885 7.066 -1.314 1.00 0.00 C ATOM 682 O THR A 42 8.348 6.326 -2.178 1.00 0.00 O ATOM 683 CB THR A 42 9.114 7.973 0.691 1.00 0.00 C ATOM 684 OG1 THR A 42 9.821 9.093 1.185 1.00 0.00 O ATOM 685 CG2 THR A 42 10.019 6.747 0.863 1.00 0.00 C ATOM 0 H THR A 42 7.900 10.013 -0.107 1.00 0.00 H new ATOM 0 HA THR A 42 9.667 8.263 -1.347 1.00 0.00 H new ATOM 0 HB THR A 42 8.184 7.807 1.236 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.061 8.941 2.123 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.258 6.617 1.918 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.503 5.860 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.939 6.892 0.297 1.00 0.00 H new ATOM 693 N MET A 43 6.641 6.911 -0.839 1.00 0.00 N ATOM 694 CA MET A 43 5.741 5.842 -1.299 1.00 0.00 C ATOM 695 C MET A 43 5.520 5.865 -2.821 1.00 0.00 C ATOM 696 O MET A 43 5.543 4.805 -3.439 1.00 0.00 O ATOM 697 CB MET A 43 4.407 5.829 -0.548 1.00 0.00 C ATOM 698 CG MET A 43 4.463 5.121 0.810 1.00 0.00 C ATOM 699 SD MET A 43 5.516 5.855 2.092 1.00 0.00 S ATOM 700 CE MET A 43 7.044 4.903 1.866 1.00 0.00 C ATOM 0 H MET A 43 6.232 7.519 -0.129 1.00 0.00 H new ATOM 0 HA MET A 43 6.254 4.910 -1.062 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.077 6.857 -0.397 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.656 5.341 -1.170 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.447 5.062 1.201 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.800 4.098 0.643 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.809 5.275 2.548 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.851 3.851 2.075 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.391 5.011 0.838 1.00 0.00 H new ATOM 710 N LYS A 44 5.333 7.035 -3.450 1.00 0.00 N ATOM 711 CA LYS A 44 5.191 7.167 -4.914 1.00 0.00 C ATOM 712 C LYS A 44 6.456 6.719 -5.661 1.00 0.00 C ATOM 713 O LYS A 44 6.353 5.974 -6.637 1.00 0.00 O ATOM 714 CB LYS A 44 4.760 8.591 -5.301 1.00 0.00 C ATOM 715 CG LYS A 44 3.260 8.799 -5.022 1.00 0.00 C ATOM 716 CD LYS A 44 2.733 10.132 -5.572 1.00 0.00 C ATOM 717 CE LYS A 44 3.260 11.351 -4.803 1.00 0.00 C ATOM 718 NZ LYS A 44 2.364 11.774 -3.707 1.00 0.00 N ATOM 0 H LYS A 44 5.275 7.925 -2.956 1.00 0.00 H new ATOM 0 HA LYS A 44 4.397 6.490 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.344 9.319 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.966 8.765 -6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.695 7.979 -5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.086 8.760 -3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.015 10.222 -6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.644 10.129 -5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.242 11.118 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.394 12.181 -5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.763 12.611 -3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.428 12.009 -4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.269 11.001 -3.018 1.00 0.00 H new ATOM 732 N ASN A 45 7.644 7.121 -5.200 1.00 0.00 N ATOM 733 CA ASN A 45 8.930 6.674 -5.763 1.00 0.00 C ATOM 734 C ASN A 45 9.064 5.140 -5.646 1.00 0.00 C ATOM 735 O ASN A 45 9.395 4.463 -6.622 1.00 0.00 O ATOM 736 CB ASN A 45 10.100 7.408 -5.082 1.00 0.00 C ATOM 737 CG ASN A 45 10.381 8.755 -5.728 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.234 8.888 -6.595 1.00 0.00 O ATOM 739 ND2 ASN A 45 9.679 9.793 -5.341 1.00 0.00 N ATOM 0 H ASN A 45 7.746 7.770 -4.420 1.00 0.00 H new ATOM 0 HA ASN A 45 8.961 6.925 -6.823 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.871 7.553 -4.026 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.995 6.788 -5.132 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.845 10.707 -5.763 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.967 9.686 -4.619 1.00 0.00 H new ATOM 746 N VAL A 46 8.768 4.597 -4.460 1.00 0.00 N ATOM 747 CA VAL A 46 8.735 3.160 -4.143 1.00 0.00 C ATOM 748 C VAL A 46 7.806 2.435 -5.122 1.00 0.00 C ATOM 749 O VAL A 46 8.267 1.555 -5.837 1.00 0.00 O ATOM 750 CB VAL A 46 8.351 2.959 -2.663 1.00 0.00 C ATOM 751 CG1 VAL A 46 7.893 1.542 -2.301 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.552 3.323 -1.782 1.00 0.00 C ATOM 0 H VAL A 46 8.533 5.175 -3.653 1.00 0.00 H new ATOM 0 HA VAL A 46 9.723 2.718 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 46 7.494 3.610 -2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.645 1.500 -1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.013 1.282 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.694 0.835 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.289 3.184 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.396 2.680 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.826 4.364 -1.952 1.00 0.00 H new ATOM 762 N LEU A 47 6.531 2.828 -5.204 1.00 0.00 N ATOM 763 CA LEU A 47 5.490 2.339 -6.120 1.00 0.00 C ATOM 764 C LEU A 47 5.981 2.272 -7.577 1.00 0.00 C ATOM 765 O LEU A 47 5.902 1.213 -8.204 1.00 0.00 O ATOM 766 CB LEU A 47 4.246 3.234 -5.921 1.00 0.00 C ATOM 767 CG LEU A 47 2.963 2.881 -6.689 1.00 0.00 C ATOM 768 CD1 LEU A 47 2.951 3.322 -8.151 1.00 0.00 C ATOM 769 CD2 LEU A 47 2.668 1.390 -6.620 1.00 0.00 C ATOM 0 H LEU A 47 6.170 3.553 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 47 5.226 1.307 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.006 3.238 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.524 4.253 -6.189 1.00 0.00 H new ATOM 0 HG LEU A 47 2.183 3.449 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.007 3.030 -8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.062 4.405 -8.205 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.776 2.846 -8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.754 1.174 -7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.497 0.834 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.541 1.092 -5.579 1.00 0.00 H new ATOM 781 N ASN A 48 6.503 3.383 -8.108 1.00 0.00 N ATOM 782 CA ASN A 48 7.058 3.481 -9.463 1.00 0.00 C ATOM 783 C ASN A 48 8.149 2.430 -9.729 1.00 0.00 C ATOM 784 O ASN A 48 8.191 1.831 -10.804 1.00 0.00 O ATOM 785 CB ASN A 48 7.602 4.901 -9.670 1.00 0.00 C ATOM 786 CG ASN A 48 8.155 5.087 -11.076 1.00 0.00 C ATOM 787 OD1 ASN A 48 7.433 5.080 -12.063 1.00 0.00 O ATOM 788 ND2 ASN A 48 9.452 5.246 -11.218 1.00 0.00 N ATOM 0 H ASN A 48 6.553 4.262 -7.594 1.00 0.00 H new ATOM 0 HA ASN A 48 6.261 3.277 -10.178 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.808 5.626 -9.492 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.386 5.101 -8.940 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.853 5.363 -12.149 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.058 5.252 -10.397 1.00 0.00 H new ATOM 795 N HIS A 49 9.039 2.198 -8.765 1.00 0.00 N ATOM 796 CA HIS A 49 10.068 1.166 -8.858 1.00 0.00 C ATOM 797 C HIS A 49 9.436 -0.242 -8.737 1.00 0.00 C ATOM 798 O HIS A 49 9.715 -1.104 -9.568 1.00 0.00 O ATOM 799 CB HIS A 49 11.152 1.446 -7.807 1.00 0.00 C ATOM 800 CG HIS A 49 12.190 0.353 -7.722 1.00 0.00 C ATOM 801 ND1 HIS A 49 12.065 -0.797 -6.994 1.00 0.00 N flip ATOM 802 CD2 HIS A 49 13.377 0.275 -8.419 1.00 0.00 C flip ATOM 803 CE1 HIS A 49 13.178 -1.607 -7.261 1.00 0.00 C flip ATOM 804 NE2 HIS A 49 13.944 -0.913 -8.123 1.00 0.00 N flip ATOM 0 H HIS A 49 9.066 2.725 -7.892 1.00 0.00 H new ATOM 0 HA HIS A 49 10.550 1.190 -9.836 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.645 2.389 -8.044 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.681 1.568 -6.832 1.00 0.00 H new ATOM 0 HD2 HIS A 49 13.779 1.027 -9.081 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.380 -2.588 -6.857 1.00 0.00 H new ATOM 0 HE2 HIS A 49 14.833 -1.241 -8.501 1.00 0.00 H new ATOM 812 N MET A 50 8.573 -0.470 -7.736 1.00 0.00 N ATOM 813 CA MET A 50 7.868 -1.722 -7.405 1.00 0.00 C ATOM 814 C MET A 50 7.279 -2.465 -8.615 1.00 0.00 C ATOM 815 O MET A 50 7.401 -3.687 -8.712 1.00 0.00 O ATOM 816 CB MET A 50 6.749 -1.466 -6.371 1.00 0.00 C ATOM 817 CG MET A 50 6.753 -2.494 -5.236 1.00 0.00 C ATOM 818 SD MET A 50 5.154 -2.878 -4.471 1.00 0.00 S ATOM 819 CE MET A 50 4.419 -1.241 -4.235 1.00 0.00 C ATOM 0 H MET A 50 8.329 0.275 -7.083 1.00 0.00 H new ATOM 0 HA MET A 50 8.637 -2.371 -6.987 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.867 -0.467 -5.952 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.782 -1.488 -6.874 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.177 -3.422 -5.620 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.425 -2.136 -4.456 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.423 -1.348 -3.806 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.043 -0.656 -3.560 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.348 -0.732 -5.196 1.00 0.00 H new ATOM 829 N THR A 51 6.627 -1.739 -9.531 1.00 0.00 N ATOM 830 CA THR A 51 6.033 -2.285 -10.764 1.00 0.00 C ATOM 831 C THR A 51 7.092 -2.882 -11.695 1.00 0.00 C ATOM 832 O THR A 51 6.953 -4.013 -12.166 1.00 0.00 O ATOM 833 CB THR A 51 5.238 -1.218 -11.533 1.00 0.00 C ATOM 834 OG1 THR A 51 5.981 -0.026 -11.646 1.00 0.00 O ATOM 835 CG2 THR A 51 3.920 -0.888 -10.841 1.00 0.00 C ATOM 0 H THR A 51 6.493 -0.732 -9.436 1.00 0.00 H new ATOM 0 HA THR A 51 5.355 -3.077 -10.445 1.00 0.00 H new ATOM 0 HB THR A 51 5.035 -1.634 -12.520 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.645 -0.121 -12.361 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.387 -0.130 -11.415 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.309 -1.788 -10.774 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.120 -0.510 -9.839 1.00 0.00 H new ATOM 843 N HIS A 52 8.152 -2.117 -11.969 1.00 0.00 N ATOM 844 CA HIS A 52 9.288 -2.487 -12.824 1.00 0.00 C ATOM 845 C HIS A 52 10.184 -3.573 -12.197 1.00 0.00 C ATOM 846 O HIS A 52 10.750 -4.393 -12.926 1.00 0.00 O ATOM 847 CB HIS A 52 10.079 -1.217 -13.167 1.00 0.00 C ATOM 848 CG HIS A 52 9.253 -0.211 -13.937 1.00 0.00 C ATOM 849 ND1 HIS A 52 8.586 0.880 -13.409 1.00 0.00 N ATOM 850 CD2 HIS A 52 8.985 -0.262 -15.275 1.00 0.00 C ATOM 851 CE1 HIS A 52 7.937 1.494 -14.417 1.00 0.00 C ATOM 852 NE2 HIS A 52 8.167 0.820 -15.565 1.00 0.00 N ATOM 0 H HIS A 52 8.248 -1.178 -11.583 1.00 0.00 H new ATOM 0 HA HIS A 52 8.901 -2.935 -13.739 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.440 -0.758 -12.247 1.00 0.00 H new ATOM 0 HB3 HIS A 52 10.957 -1.487 -13.754 1.00 0.00 H new ATOM 0 HD1 HIS A 52 8.586 1.168 -12.431 1.00 0.00 H new ATOM 0 HD2 HIS A 52 9.342 -1.004 -15.974 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.330 2.382 -14.323 1.00 0.00 H new ATOM 861 N CYS A 53 10.326 -3.570 -10.871 1.00 0.00 N ATOM 862 CA CYS A 53 11.117 -4.505 -10.073 1.00 0.00 C ATOM 863 C CYS A 53 10.677 -5.975 -10.273 1.00 0.00 C ATOM 864 O CYS A 53 9.485 -6.289 -10.387 1.00 0.00 O ATOM 865 CB CYS A 53 11.017 -4.055 -8.607 1.00 0.00 C ATOM 866 SG CYS A 53 12.129 -5.009 -7.528 1.00 0.00 S ATOM 0 H CYS A 53 9.863 -2.871 -10.291 1.00 0.00 H new ATOM 0 HA CYS A 53 12.157 -4.485 -10.399 1.00 0.00 H new ATOM 0 HB2 CYS A 53 11.262 -2.995 -8.535 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.990 -4.169 -8.261 1.00 0.00 H new ATOM 0 HG CYS A 53 13.338 -4.542 -7.629 1.00 0.00 H new ATOM 871 N GLN A 54 11.666 -6.873 -10.327 1.00 0.00 N ATOM 872 CA GLN A 54 11.526 -8.326 -10.518 1.00 0.00 C ATOM 873 C GLN A 54 12.338 -9.151 -9.500 1.00 0.00 C ATOM 874 O GLN A 54 12.174 -10.372 -9.422 1.00 0.00 O ATOM 875 CB GLN A 54 11.953 -8.700 -11.949 1.00 0.00 C ATOM 876 CG GLN A 54 11.028 -8.113 -13.026 1.00 0.00 C ATOM 877 CD GLN A 54 11.511 -8.454 -14.434 1.00 0.00 C ATOM 878 OE1 GLN A 54 11.334 -9.560 -14.936 1.00 0.00 O ATOM 879 NE2 GLN A 54 12.134 -7.527 -15.132 1.00 0.00 N ATOM 0 H GLN A 54 12.642 -6.593 -10.234 1.00 0.00 H new ATOM 0 HA GLN A 54 10.476 -8.570 -10.355 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.970 -8.349 -12.122 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.970 -9.786 -12.045 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.017 -8.496 -12.885 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.977 -7.030 -12.911 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.289 -6.603 -14.729 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.462 -7.733 -16.076 1.00 0.00 H new ATOM 888 N ALA A 55 13.208 -8.510 -8.710 1.00 0.00 N ATOM 889 CA ALA A 55 14.042 -9.154 -7.696 1.00 0.00 C ATOM 890 C ALA A 55 13.211 -9.753 -6.539 1.00 0.00 C ATOM 891 O ALA A 55 13.583 -10.782 -5.968 1.00 0.00 O ATOM 892 CB ALA A 55 15.076 -8.135 -7.208 1.00 0.00 C ATOM 0 H ALA A 55 13.353 -7.502 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 55 14.556 -10.007 -8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.710 -8.595 -6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.691 -7.810 -8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.564 -7.274 -6.779 1.00 0.00 H new ATOM 898 N GLY A 56 12.079 -9.128 -6.194 1.00 0.00 N ATOM 899 CA GLY A 56 11.153 -9.594 -5.160 1.00 0.00 C ATOM 900 C GLY A 56 11.743 -9.499 -3.750 1.00 0.00 C ATOM 901 O GLY A 56 11.955 -8.397 -3.235 1.00 0.00 O ATOM 0 H GLY A 56 11.776 -8.262 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.237 -9.005 -5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.877 -10.628 -5.365 1.00 0.00 H new ATOM 905 N LYS A 57 12.023 -10.656 -3.133 1.00 0.00 N ATOM 906 CA LYS A 57 12.642 -10.763 -1.797 1.00 0.00 C ATOM 907 C LYS A 57 14.075 -10.212 -1.798 1.00 0.00 C ATOM 908 O LYS A 57 14.512 -9.599 -0.824 1.00 0.00 O ATOM 909 CB LYS A 57 12.681 -12.231 -1.318 1.00 0.00 C ATOM 910 CG LYS A 57 11.326 -12.941 -1.165 1.00 0.00 C ATOM 911 CD LYS A 57 10.385 -12.253 -0.162 1.00 0.00 C ATOM 912 CE LYS A 57 9.097 -13.054 0.053 1.00 0.00 C ATOM 913 NZ LYS A 57 9.317 -14.221 0.942 1.00 0.00 N ATOM 0 H LYS A 57 11.823 -11.563 -3.554 1.00 0.00 H new ATOM 0 HA LYS A 57 12.027 -10.172 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.288 -12.803 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.193 -12.262 -0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.837 -12.987 -2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.497 -13.969 -0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.899 -12.128 0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.136 -11.255 -0.523 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.334 -12.407 0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.717 -13.397 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.416 -14.719 1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.002 -14.868 0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.688 -13.895 1.857 1.00 0.00 H new ATOM 927 N ALA A 58 14.808 -10.469 -2.884 1.00 0.00 N ATOM 928 CA ALA A 58 16.208 -10.098 -3.092 1.00 0.00 C ATOM 929 C ALA A 58 16.476 -8.588 -3.285 1.00 0.00 C ATOM 930 O ALA A 58 17.637 -8.176 -3.203 1.00 0.00 O ATOM 931 CB ALA A 58 16.736 -10.905 -4.287 1.00 0.00 C ATOM 0 H ALA A 58 14.419 -10.968 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 58 16.740 -10.337 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.780 -10.649 -4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.656 -11.970 -4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.147 -10.670 -5.174 1.00 0.00 H new ATOM 937 N CYS A 59 15.451 -7.763 -3.546 1.00 0.00 N ATOM 938 CA CYS A 59 15.617 -6.322 -3.749 1.00 0.00 C ATOM 939 C CYS A 59 16.213 -5.656 -2.488 1.00 0.00 C ATOM 940 O CYS A 59 15.710 -5.814 -1.368 1.00 0.00 O ATOM 941 CB CYS A 59 14.278 -5.701 -4.182 1.00 0.00 C ATOM 942 SG CYS A 59 14.572 -4.090 -4.986 1.00 0.00 S ATOM 0 H CYS A 59 14.484 -8.080 -3.622 1.00 0.00 H new ATOM 0 HA CYS A 59 16.331 -6.144 -4.553 1.00 0.00 H new ATOM 0 HB2 CYS A 59 13.762 -6.371 -4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.630 -5.572 -3.315 1.00 0.00 H new ATOM 0 HG CYS A 59 13.455 -3.429 -5.055 1.00 0.00 H new ATOM 947 N GLN A 60 17.329 -4.945 -2.673 1.00 0.00 N ATOM 948 CA GLN A 60 18.086 -4.276 -1.606 1.00 0.00 C ATOM 949 C GLN A 60 17.299 -3.146 -0.918 1.00 0.00 C ATOM 950 O GLN A 60 17.503 -2.882 0.270 1.00 0.00 O ATOM 951 CB GLN A 60 19.419 -3.744 -2.158 1.00 0.00 C ATOM 952 CG GLN A 60 20.343 -4.872 -2.645 1.00 0.00 C ATOM 953 CD GLN A 60 21.704 -4.339 -3.089 1.00 0.00 C ATOM 954 OE1 GLN A 60 22.692 -4.392 -2.366 1.00 0.00 O ATOM 955 NE2 GLN A 60 21.815 -3.804 -4.288 1.00 0.00 N ATOM 0 H GLN A 60 17.744 -4.814 -3.595 1.00 0.00 H new ATOM 0 HA GLN A 60 18.278 -5.027 -0.839 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.220 -3.059 -2.982 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.927 -3.171 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.481 -5.600 -1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.870 -5.397 -3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.001 -3.753 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.715 -3.441 -4.603 1.00 0.00 H new ATOM 964 N VAL A 61 16.406 -2.471 -1.649 1.00 0.00 N ATOM 965 CA VAL A 61 15.561 -1.378 -1.145 1.00 0.00 C ATOM 966 C VAL A 61 14.525 -1.934 -0.154 1.00 0.00 C ATOM 967 O VAL A 61 13.628 -2.694 -0.525 1.00 0.00 O ATOM 968 CB VAL A 61 14.884 -0.622 -2.308 1.00 0.00 C ATOM 969 CG1 VAL A 61 14.020 0.546 -1.808 1.00 0.00 C ATOM 970 CG2 VAL A 61 15.926 -0.032 -3.273 1.00 0.00 C ATOM 0 H VAL A 61 16.245 -2.674 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 61 16.189 -0.660 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 61 14.261 -1.358 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.562 1.050 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.240 0.165 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.644 1.252 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.417 0.494 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.568 0.665 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.533 -0.836 -3.689 1.00 0.00 H new ATOM 980 N ALA A 62 14.651 -1.540 1.118 1.00 0.00 N ATOM 981 CA ALA A 62 13.793 -1.941 2.241 1.00 0.00 C ATOM 982 C ALA A 62 12.292 -1.823 1.913 1.00 0.00 C ATOM 983 O ALA A 62 11.531 -2.791 2.001 1.00 0.00 O ATOM 984 CB ALA A 62 14.195 -1.095 3.460 1.00 0.00 C ATOM 0 H ALA A 62 15.391 -0.901 1.408 1.00 0.00 H new ATOM 0 HA ALA A 62 13.944 -2.999 2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.575 -1.369 4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.243 -1.277 3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.053 -0.039 3.233 1.00 0.00 H new ATOM 990 N HIS A 63 11.875 -0.617 1.519 1.00 0.00 N ATOM 991 CA HIS A 63 10.498 -0.264 1.150 1.00 0.00 C ATOM 992 C HIS A 63 9.942 -1.116 -0.002 1.00 0.00 C ATOM 993 O HIS A 63 8.821 -1.607 0.109 1.00 0.00 O ATOM 994 CB HIS A 63 10.419 1.240 0.844 1.00 0.00 C ATOM 995 CG HIS A 63 10.910 2.114 1.974 1.00 0.00 C ATOM 996 ND1 HIS A 63 12.031 2.930 1.952 1.00 0.00 N ATOM 997 CD2 HIS A 63 10.358 2.183 3.222 1.00 0.00 C ATOM 998 CE1 HIS A 63 12.166 3.465 3.185 1.00 0.00 C ATOM 999 NE2 HIS A 63 11.166 3.018 3.973 1.00 0.00 N ATOM 0 H HIS A 63 12.513 0.175 1.445 1.00 0.00 H new ATOM 0 HA HIS A 63 9.857 -0.489 2.002 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.006 1.452 -0.049 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.386 1.502 0.616 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.462 1.682 3.558 1.00 0.00 H new ATOM 0 HE1 HIS A 63 12.949 4.142 3.491 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.029 3.255 4.955 1.00 0.00 H new ATOM 1008 N CYS A 64 10.703 -1.306 -1.084 1.00 0.00 N ATOM 1009 CA CYS A 64 10.336 -2.118 -2.252 1.00 0.00 C ATOM 1010 C CYS A 64 10.020 -3.576 -1.844 1.00 0.00 C ATOM 1011 O CYS A 64 8.904 -4.072 -2.040 1.00 0.00 O ATOM 1012 CB CYS A 64 11.489 -2.044 -3.262 1.00 0.00 C ATOM 1013 SG CYS A 64 11.094 -3.013 -4.744 1.00 0.00 S ATOM 0 H CYS A 64 11.627 -0.883 -1.176 1.00 0.00 H new ATOM 0 HA CYS A 64 9.427 -1.728 -2.709 1.00 0.00 H new ATOM 0 HB2 CYS A 64 11.674 -1.006 -3.537 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.405 -2.421 -2.807 1.00 0.00 H new ATOM 0 HG CYS A 64 11.216 -2.263 -5.798 1.00 0.00 H new ATOM 1018 N ALA A 65 10.995 -4.245 -1.213 1.00 0.00 N ATOM 1019 CA ALA A 65 10.863 -5.602 -0.692 1.00 0.00 C ATOM 1020 C ALA A 65 9.612 -5.738 0.195 1.00 0.00 C ATOM 1021 O ALA A 65 8.853 -6.686 0.013 1.00 0.00 O ATOM 1022 CB ALA A 65 12.145 -5.979 0.061 1.00 0.00 C ATOM 0 H ALA A 65 11.918 -3.843 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 65 10.730 -6.297 -1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.052 -6.992 0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.995 -5.929 -0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.300 -5.284 0.886 1.00 0.00 H new ATOM 1028 N SER A 66 9.399 -4.808 1.135 1.00 0.00 N ATOM 1029 CA SER A 66 8.271 -4.751 2.086 1.00 0.00 C ATOM 1030 C SER A 66 6.895 -4.518 1.444 1.00 0.00 C ATOM 1031 O SER A 66 5.963 -5.281 1.704 1.00 0.00 O ATOM 1032 CB SER A 66 8.495 -3.642 3.117 1.00 0.00 C ATOM 1033 OG SER A 66 9.702 -3.862 3.809 1.00 0.00 O ATOM 0 H SER A 66 10.044 -4.028 1.263 1.00 0.00 H new ATOM 0 HA SER A 66 8.254 -5.740 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.523 -2.673 2.620 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.663 -3.615 3.821 1.00 0.00 H new ATOM 0 HG SER A 66 10.453 -3.541 3.267 1.00 0.00 H new ATOM 1039 N SER A 67 6.747 -3.461 0.638 1.00 0.00 N ATOM 1040 CA SER A 67 5.498 -3.026 -0.020 1.00 0.00 C ATOM 1041 C SER A 67 4.762 -4.120 -0.801 1.00 0.00 C ATOM 1042 O SER A 67 3.531 -4.132 -0.844 1.00 0.00 O ATOM 1043 CB SER A 67 5.693 -1.755 -0.856 1.00 0.00 C ATOM 1044 OG SER A 67 6.795 -1.834 -1.730 1.00 0.00 O ATOM 0 H SER A 67 7.532 -2.851 0.412 1.00 0.00 H new ATOM 0 HA SER A 67 4.830 -2.782 0.806 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.789 -1.566 -1.436 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.827 -0.904 -0.188 1.00 0.00 H new ATOM 0 HG SER A 67 7.626 -1.749 -1.217 1.00 0.00 H new ATOM 1050 N ARG A 68 5.480 -5.089 -1.372 1.00 0.00 N ATOM 1051 CA ARG A 68 4.862 -6.252 -2.027 1.00 0.00 C ATOM 1052 C ARG A 68 3.999 -7.080 -1.048 1.00 0.00 C ATOM 1053 O ARG A 68 2.885 -7.459 -1.409 1.00 0.00 O ATOM 1054 CB ARG A 68 5.939 -7.063 -2.755 1.00 0.00 C ATOM 1055 CG ARG A 68 6.424 -6.326 -4.018 1.00 0.00 C ATOM 1056 CD ARG A 68 7.438 -7.138 -4.837 1.00 0.00 C ATOM 1057 NE ARG A 68 8.835 -6.901 -4.417 1.00 0.00 N ATOM 1058 CZ ARG A 68 9.729 -6.137 -5.035 1.00 0.00 C ATOM 1059 NH1 ARG A 68 9.474 -5.443 -6.095 1.00 0.00 N ATOM 1060 NH2 ARG A 68 10.957 -6.066 -4.643 1.00 0.00 N ATOM 0 H ARG A 68 6.500 -5.094 -1.396 1.00 0.00 H new ATOM 0 HA ARG A 68 4.155 -5.909 -2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.781 -7.239 -2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.541 -8.040 -3.030 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.565 -6.090 -4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.877 -5.378 -3.727 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.209 -8.199 -4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.333 -6.884 -5.892 1.00 0.00 H new ATOM 0 HE ARG A 68 9.144 -7.372 -3.567 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.540 -5.462 -6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.207 -4.876 -6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.267 -6.607 -3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.618 -5.469 -5.141 1.00 0.00 H new ATOM 1074 N GLN A 69 4.452 -7.333 0.190 1.00 0.00 N ATOM 1075 CA GLN A 69 3.681 -8.070 1.218 1.00 0.00 C ATOM 1076 C GLN A 69 2.374 -7.363 1.602 1.00 0.00 C ATOM 1077 O GLN A 69 1.334 -8.014 1.620 1.00 0.00 O ATOM 1078 CB GLN A 69 4.431 -8.303 2.546 1.00 0.00 C ATOM 1079 CG GLN A 69 5.451 -9.450 2.585 1.00 0.00 C ATOM 1080 CD GLN A 69 6.733 -9.193 1.814 1.00 0.00 C ATOM 1081 OE1 GLN A 69 7.440 -10.101 1.405 1.00 0.00 O ATOM 1082 NE2 GLN A 69 7.109 -7.950 1.641 1.00 0.00 N ATOM 0 H GLN A 69 5.371 -7.031 0.514 1.00 0.00 H new ATOM 0 HA GLN A 69 3.498 -9.025 0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.950 -7.381 2.807 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.690 -8.483 3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.705 -9.656 3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.980 -10.349 2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.522 -7.188 1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.988 -7.744 1.167 1.00 0.00 H new ATOM 1091 N ILE A 70 2.413 -6.072 1.961 1.00 0.00 N ATOM 1092 CA ILE A 70 1.217 -5.325 2.407 1.00 0.00 C ATOM 1093 C ILE A 70 0.048 -5.435 1.413 1.00 0.00 C ATOM 1094 O ILE A 70 -1.092 -5.673 1.822 1.00 0.00 O ATOM 1095 CB ILE A 70 1.508 -3.858 2.832 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.656 -3.153 2.096 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.713 -3.814 4.355 1.00 0.00 C ATOM 1098 CD1 ILE A 70 2.827 -1.656 2.411 1.00 0.00 C ATOM 0 H ILE A 70 3.267 -5.514 1.952 1.00 0.00 H new ATOM 0 HA ILE A 70 0.897 -5.823 3.322 1.00 0.00 H new ATOM 0 HB ILE A 70 0.632 -3.283 2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.587 -3.665 2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.499 -3.265 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.918 -2.789 4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.812 -4.171 4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.555 -4.451 4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.665 -1.257 1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.916 -1.121 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.021 -1.528 3.476 1.00 0.00 H new ATOM 1110 N ILE A 71 0.323 -5.314 0.112 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.689 -5.473 -0.946 1.00 0.00 C ATOM 1112 C ILE A 71 -1.090 -6.944 -1.111 1.00 0.00 C ATOM 1113 O ILE A 71 -2.284 -7.237 -1.209 1.00 0.00 O ATOM 1114 CB ILE A 71 -0.225 -4.800 -2.251 1.00 0.00 C ATOM 1115 CG1 ILE A 71 0.105 -3.309 -2.003 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -1.282 -4.917 -3.364 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -0.943 -2.528 -1.181 1.00 0.00 C ATOM 0 H ILE A 71 1.256 -5.102 -0.243 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.600 -4.954 -0.649 1.00 0.00 H new ATOM 0 HB ILE A 71 0.673 -5.322 -2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.065 -3.247 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.227 -2.816 -2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.915 -4.429 -4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.476 -5.969 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.205 -4.435 -3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.617 -1.494 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.902 -2.550 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.051 -2.988 -0.199 1.00 0.00 H new ATOM 1129 N SER A 72 -0.126 -7.874 -1.080 1.00 0.00 N ATOM 1130 CA SER A 72 -0.392 -9.324 -1.104 1.00 0.00 C ATOM 1131 C SER A 72 -1.392 -9.710 -0.009 1.00 0.00 C ATOM 1132 O SER A 72 -2.362 -10.413 -0.286 1.00 0.00 O ATOM 1133 CB SER A 72 0.879 -10.159 -0.920 1.00 0.00 C ATOM 1134 OG SER A 72 1.843 -9.885 -1.913 1.00 0.00 O ATOM 0 H SER A 72 0.867 -7.643 -1.037 1.00 0.00 H new ATOM 0 HA SER A 72 -0.806 -9.540 -2.089 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.305 -9.958 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.623 -11.218 -0.946 1.00 0.00 H new ATOM 0 HG SER A 72 2.086 -8.936 -1.880 1.00 0.00 H new ATOM 1140 N HIS A 73 -1.177 -9.234 1.227 1.00 0.00 N ATOM 1141 CA HIS A 73 -2.060 -9.466 2.367 1.00 0.00 C ATOM 1142 C HIS A 73 -3.473 -8.968 2.049 1.00 0.00 C ATOM 1143 O HIS A 73 -4.384 -9.785 2.016 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.516 -8.833 3.661 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.302 -9.227 4.900 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -1.811 -9.953 5.962 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.622 -8.958 5.178 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -2.815 -10.131 6.844 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -3.946 -9.542 6.414 1.00 0.00 N ATOM 0 H HIS A 73 -0.364 -8.664 1.461 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.102 -10.541 2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.475 -9.127 3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.530 -7.748 3.560 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.856 -10.296 6.064 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.296 -8.393 4.551 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.724 -10.674 7.773 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.669 -7.664 1.803 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.997 -7.095 1.525 1.00 0.00 C ATOM 1159 C TRP A 74 -5.764 -7.828 0.406 1.00 0.00 C ATOM 1160 O TRP A 74 -6.972 -8.060 0.527 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.916 -5.582 1.268 1.00 0.00 C ATOM 1162 CG TRP A 74 -6.250 -4.889 1.271 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -7.216 -5.087 2.196 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.795 -3.895 0.346 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -8.332 -4.335 1.890 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -8.132 -3.588 0.750 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -6.298 -3.212 -0.785 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.944 -2.683 0.049 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -7.091 -2.272 -1.471 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -8.414 -2.018 -1.063 1.00 0.00 C ATOM 0 H TRP A 74 -2.915 -6.977 1.791 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.585 -7.252 2.429 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.281 -5.128 2.029 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.432 -5.413 0.306 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -7.127 -5.740 3.052 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -9.193 -4.333 2.437 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.294 -3.413 -1.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.962 -2.502 0.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.681 -1.741 -2.317 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -9.020 -1.310 -1.608 1.00 0.00 H new ATOM 1181 N LYS A 75 -5.068 -8.219 -0.673 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.623 -8.990 -1.798 1.00 0.00 C ATOM 1183 C LYS A 75 -6.094 -10.388 -1.352 1.00 0.00 C ATOM 1184 O LYS A 75 -7.246 -10.751 -1.602 1.00 0.00 O ATOM 1185 CB LYS A 75 -4.576 -9.056 -2.931 1.00 0.00 C ATOM 1186 CG LYS A 75 -5.076 -9.716 -4.232 1.00 0.00 C ATOM 1187 CD LYS A 75 -5.713 -8.761 -5.257 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.951 -8.017 -4.737 1.00 0.00 C ATOM 1189 NZ LYS A 75 -7.658 -7.297 -5.831 1.00 0.00 N ATOM 0 H LYS A 75 -4.078 -8.002 -0.791 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.511 -8.485 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.242 -8.044 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.706 -9.606 -2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.237 -10.224 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.806 -10.482 -3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.967 -8.030 -5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.991 -9.330 -6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.632 -8.727 -4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.652 -7.306 -3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.235 -6.532 -5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.961 -6.894 -6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.274 -7.961 -6.343 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.219 -11.174 -0.722 1.00 0.00 N ATOM 1204 CA ASN A 76 -5.486 -12.539 -0.243 1.00 0.00 C ATOM 1205 C ASN A 76 -6.516 -12.611 0.904 1.00 0.00 C ATOM 1206 O ASN A 76 -7.383 -13.490 0.902 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.164 -13.206 0.179 1.00 0.00 C ATOM 1208 CG ASN A 76 -3.355 -13.735 -1.000 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -3.165 -13.088 -2.022 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -2.854 -14.945 -0.902 1.00 0.00 N ATOM 0 H ASN A 76 -4.267 -10.869 -0.522 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.935 -13.079 -1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.561 -12.485 0.731 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.381 -14.028 0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.313 -15.337 -1.673 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.006 -15.493 -0.055 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.392 -11.734 1.900 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.204 -11.675 3.109 1.00 0.00 C ATOM 1219 C CYS A 77 -8.701 -11.447 2.831 1.00 0.00 C ATOM 1220 O CYS A 77 -9.104 -10.582 2.044 1.00 0.00 O ATOM 1221 CB CYS A 77 -6.596 -10.605 4.032 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.294 -10.651 5.711 1.00 0.00 S ATOM 0 H CYS A 77 -5.680 -11.004 1.881 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.180 -12.646 3.604 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.517 -10.749 4.087 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.765 -9.619 3.599 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.683 -9.458 6.052 1.00 0.00 H new ATOM 1227 N THR A 78 -9.524 -12.256 3.502 1.00 0.00 N ATOM 1228 CA THR A 78 -10.998 -12.267 3.463 1.00 0.00 C ATOM 1229 C THR A 78 -11.609 -12.380 4.873 1.00 0.00 C ATOM 1230 O THR A 78 -12.801 -12.666 5.029 1.00 0.00 O ATOM 1231 CB THR A 78 -11.522 -13.390 2.542 1.00 0.00 C ATOM 1232 OG1 THR A 78 -10.928 -14.637 2.854 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.258 -13.101 1.063 1.00 0.00 C ATOM 0 H THR A 78 -9.159 -12.971 4.131 1.00 0.00 H new ATOM 0 HA THR A 78 -11.316 -11.311 3.047 1.00 0.00 H new ATOM 0 HB THR A 78 -12.597 -13.431 2.715 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.282 -15.327 2.255 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.645 -13.920 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.755 -12.173 0.779 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.185 -13.003 0.897 1.00 0.00 H new ATOM 1241 N ARG A 79 -10.810 -12.120 5.922 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.208 -12.139 7.340 1.00 0.00 C ATOM 1243 C ARG A 79 -12.289 -11.088 7.623 1.00 0.00 C ATOM 1244 O ARG A 79 -12.191 -9.938 7.189 1.00 0.00 O ATOM 1245 CB ARG A 79 -9.947 -11.930 8.199 1.00 0.00 C ATOM 1246 CG ARG A 79 -10.199 -11.855 9.716 1.00 0.00 C ATOM 1247 CD ARG A 79 -8.909 -11.612 10.515 1.00 0.00 C ATOM 1248 NE ARG A 79 -8.022 -12.786 10.494 1.00 0.00 N ATOM 1249 CZ ARG A 79 -7.031 -13.025 9.651 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -6.557 -12.135 8.829 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -6.515 -14.221 9.617 1.00 0.00 N ATOM 0 H ARG A 79 -9.826 -11.880 5.799 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.652 -13.102 7.595 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.252 -12.746 8.001 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.457 -11.009 7.881 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.908 -11.054 9.924 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.661 -12.784 10.051 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.383 -10.752 10.102 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.162 -11.366 11.546 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.190 -13.494 11.209 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.952 -11.195 8.812 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.791 -12.378 8.201 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.876 -14.950 10.232 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.750 -14.428 8.975 1.00 0.00 H new ATOM 1265 N HIS A 80 -13.322 -11.496 8.366 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.486 -10.675 8.742 1.00 0.00 C ATOM 1267 C HIS A 80 -14.144 -9.380 9.495 1.00 0.00 C ATOM 1268 O HIS A 80 -14.892 -8.410 9.394 1.00 0.00 O ATOM 1269 CB HIS A 80 -15.474 -11.526 9.558 1.00 0.00 C ATOM 1270 CG HIS A 80 -15.886 -12.814 8.881 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -15.804 -14.082 9.431 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -16.397 -12.930 7.617 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -16.258 -14.956 8.509 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -16.623 -14.280 7.399 1.00 0.00 N ATOM 0 H HIS A 80 -13.376 -12.444 8.739 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.939 -10.348 7.806 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.023 -11.763 10.522 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.366 -10.933 9.761 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.588 -12.125 6.923 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.320 -16.026 8.638 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.001 -14.692 6.546 1.00 0.00 H new ATOM 1283 N ASP A 81 -13.064 -9.369 10.282 1.00 0.00 N ATOM 1284 CA ASP A 81 -12.650 -8.241 11.130 1.00 0.00 C ATOM 1285 C ASP A 81 -11.120 -8.020 11.247 1.00 0.00 C ATOM 1286 O ASP A 81 -10.628 -7.662 12.323 1.00 0.00 O ATOM 1287 CB ASP A 81 -13.322 -8.399 12.512 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.726 -9.518 13.399 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -12.354 -10.598 12.881 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -12.675 -9.337 14.641 1.00 0.00 O ATOM 0 H ASP A 81 -12.433 -10.167 10.350 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.989 -7.330 10.637 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.248 -7.452 13.047 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.383 -8.599 12.364 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.357 -8.164 10.150 1.00 0.00 N ATOM 1296 CA CYS A 82 -8.911 -7.869 10.146 1.00 0.00 C ATOM 1297 C CYS A 82 -8.744 -6.347 10.432 1.00 0.00 C ATOM 1298 O CYS A 82 -9.516 -5.543 9.891 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.300 -8.263 8.785 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.602 -8.946 8.871 1.00 0.00 S ATOM 0 H CYS A 82 -10.718 -8.484 9.251 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.387 -8.443 10.911 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.949 -9.000 8.311 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.291 -7.385 8.139 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.377 -9.683 7.824 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.791 -5.909 11.280 1.00 0.00 N ATOM 1306 CA PRO A 83 -7.644 -4.509 11.704 1.00 0.00 C ATOM 1307 C PRO A 83 -7.400 -3.459 10.607 1.00 0.00 C ATOM 1308 O PRO A 83 -7.588 -2.269 10.877 1.00 0.00 O ATOM 1309 CB PRO A 83 -6.521 -4.508 12.749 1.00 0.00 C ATOM 1310 CG PRO A 83 -5.727 -5.769 12.417 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.818 -6.735 11.973 1.00 0.00 C ATOM 0 HA PRO A 83 -8.607 -4.181 12.094 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.903 -3.613 12.674 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.917 -4.538 13.764 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.995 -5.593 11.629 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.180 -6.144 13.282 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.418 -7.508 11.317 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.267 -7.242 12.827 1.00 0.00 H new ATOM 1319 N VAL A 84 -6.998 -3.851 9.391 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.735 -2.922 8.271 1.00 0.00 C ATOM 1321 C VAL A 84 -7.601 -3.268 7.063 1.00 0.00 C ATOM 1322 O VAL A 84 -8.236 -2.389 6.479 1.00 0.00 O ATOM 1323 CB VAL A 84 -5.254 -2.867 7.842 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.954 -1.459 7.301 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -4.283 -3.203 8.974 1.00 0.00 C ATOM 0 H VAL A 84 -6.843 -4.830 9.149 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.994 -1.933 8.648 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.105 -3.627 7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.910 -1.402 6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.597 -1.254 6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.142 -0.722 8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.259 -3.146 8.604 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.415 -2.492 9.789 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.482 -4.211 9.337 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.629 -4.545 6.685 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.377 -5.080 5.564 1.00 0.00 C ATOM 1337 C CYS A 85 -9.869 -4.725 5.645 1.00 0.00 C ATOM 1338 O CYS A 85 -10.405 -4.162 4.691 1.00 0.00 O ATOM 1339 CB CYS A 85 -8.140 -6.600 5.487 1.00 0.00 C ATOM 1340 SG CYS A 85 -6.395 -7.050 5.786 1.00 0.00 S ATOM 0 H CYS A 85 -7.103 -5.264 7.181 1.00 0.00 H new ATOM 0 HA CYS A 85 -8.019 -4.621 4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.772 -7.101 6.220 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.443 -6.963 4.505 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.308 -7.745 6.881 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.537 -5.031 6.765 1.00 0.00 N ATOM 1346 CA LEU A 86 -11.959 -4.744 6.967 1.00 0.00 C ATOM 1347 C LEU A 86 -12.323 -3.268 6.709 1.00 0.00 C ATOM 1348 O LEU A 86 -13.143 -3.048 5.816 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.454 -5.299 8.318 1.00 0.00 C ATOM 1350 CG LEU A 86 -13.978 -5.242 8.561 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.508 -3.855 8.935 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -14.777 -5.796 7.379 1.00 0.00 C ATOM 0 H LEU A 86 -10.098 -5.490 7.564 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.515 -5.283 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.132 -6.337 8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.959 -4.748 9.117 1.00 0.00 H new ATOM 0 HG LEU A 86 -14.128 -5.884 9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.586 -3.906 9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.027 -3.517 9.853 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.288 -3.153 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.843 -5.734 7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.556 -5.212 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.502 -6.837 7.210 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.776 -2.254 7.419 1.00 0.00 N ATOM 1365 CA PRO A 87 -12.120 -0.852 7.164 1.00 0.00 C ATOM 1366 C PRO A 87 -11.927 -0.448 5.692 1.00 0.00 C ATOM 1367 O PRO A 87 -12.804 0.204 5.121 1.00 0.00 O ATOM 1368 CB PRO A 87 -11.305 -0.010 8.151 1.00 0.00 C ATOM 1369 CG PRO A 87 -10.225 -0.945 8.684 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.824 -2.343 8.519 1.00 0.00 C ATOM 0 HA PRO A 87 -13.184 -0.680 7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.866 0.857 7.658 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.933 0.366 8.959 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.296 -0.841 8.123 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.993 -0.732 9.727 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -10.047 -3.076 8.302 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -11.318 -2.665 9.436 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.824 -0.864 5.056 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.563 -0.626 3.630 1.00 0.00 C ATOM 1380 C LEU A 88 -11.649 -1.249 2.737 1.00 0.00 C ATOM 1381 O LEU A 88 -12.245 -0.541 1.924 1.00 0.00 O ATOM 1382 CB LEU A 88 -9.176 -1.158 3.250 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.990 -0.379 3.837 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.713 -1.152 3.525 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.869 1.022 3.232 1.00 0.00 C ATOM 0 H LEU A 88 -10.079 -1.381 5.523 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.587 0.451 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -9.103 -2.197 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -9.089 -1.155 2.163 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.147 -0.271 4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.855 -0.617 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.769 -2.144 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.601 -1.248 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.017 1.538 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.724 0.942 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.780 1.586 3.434 1.00 0.00 H new ATOM 1397 N LYS A 89 -11.932 -2.552 2.882 1.00 0.00 N ATOM 1398 CA LYS A 89 -12.980 -3.279 2.134 1.00 0.00 C ATOM 1399 C LYS A 89 -14.344 -2.621 2.304 1.00 0.00 C ATOM 1400 O LYS A 89 -15.029 -2.348 1.321 1.00 0.00 O ATOM 1401 CB LYS A 89 -13.095 -4.737 2.605 1.00 0.00 C ATOM 1402 CG LYS A 89 -11.923 -5.629 2.194 1.00 0.00 C ATOM 1403 CD LYS A 89 -12.168 -7.040 2.740 1.00 0.00 C ATOM 1404 CE LYS A 89 -10.901 -7.910 2.748 1.00 0.00 C ATOM 1405 NZ LYS A 89 -10.307 -8.104 1.398 1.00 0.00 N ATOM 0 H LYS A 89 -11.428 -3.149 3.538 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.684 -3.250 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.181 -4.749 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.016 -5.163 2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.829 -5.654 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.988 -5.229 2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.559 -6.968 3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.934 -7.529 2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.158 -7.451 3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.141 -8.884 3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.784 -9.003 1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.064 -8.125 0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.657 -7.320 1.189 1.00 0.00 H new ATOM 1731 N GLY B 114 7.924 8.019 11.928 1.00 0.00 N ATOM 1732 CA GLY B 114 7.827 8.862 10.722 1.00 0.00 C ATOM 1733 C GLY B 114 7.695 7.966 9.494 1.00 0.00 C ATOM 1734 O GLY B 114 6.595 7.754 8.988 1.00 0.00 O ATOM 0 HA2 GLY B 114 6.966 9.527 10.796 1.00 0.00 H new ATOM 0 HA3 GLY B 114 8.711 9.494 10.633 1.00 0.00 H new ATOM 1738 N LEU B 115 8.815 7.379 9.070 1.00 0.00 N ATOM 1739 CA LEU B 115 8.908 6.377 8.005 1.00 0.00 C ATOM 1740 C LEU B 115 9.849 5.249 8.466 1.00 0.00 C ATOM 1741 O LEU B 115 11.013 5.523 8.781 1.00 0.00 O ATOM 1742 CB LEU B 115 9.383 6.999 6.677 1.00 0.00 C ATOM 1743 CG LEU B 115 8.245 7.506 5.774 1.00 0.00 C ATOM 1744 CD1 LEU B 115 8.846 8.151 4.525 1.00 0.00 C ATOM 1745 CD2 LEU B 115 7.321 6.382 5.304 1.00 0.00 C ATOM 0 H LEU B 115 9.724 7.598 9.478 1.00 0.00 H new ATOM 0 HA LEU B 115 7.917 5.966 7.814 1.00 0.00 H new ATOM 0 HB2 LEU B 115 10.054 7.829 6.897 1.00 0.00 H new ATOM 0 HB3 LEU B 115 9.963 6.257 6.129 1.00 0.00 H new ATOM 0 HG LEU B 115 7.664 8.213 6.365 1.00 0.00 H new ATOM 0 HD11 LEU B 115 8.045 8.512 3.881 1.00 0.00 H new ATOM 0 HD12 LEU B 115 9.482 8.987 4.817 1.00 0.00 H new ATOM 0 HD13 LEU B 115 9.441 7.414 3.985 1.00 0.00 H new ATOM 0 HD21 LEU B 115 6.537 6.797 4.671 1.00 0.00 H new ATOM 0 HD22 LEU B 115 7.897 5.651 4.737 1.00 0.00 H new ATOM 0 HD23 LEU B 115 6.870 5.896 6.169 1.00 0.00 H new ATOM 1757 N PRO B 116 9.371 3.992 8.542 1.00 0.00 N ATOM 1758 CA PRO B 116 10.165 2.863 9.013 1.00 0.00 C ATOM 1759 C PRO B 116 11.088 2.282 7.932 1.00 0.00 C ATOM 1760 O PRO B 116 11.020 2.644 6.754 1.00 0.00 O ATOM 1761 CB PRO B 116 9.107 1.833 9.428 1.00 0.00 C ATOM 1762 CG PRO B 116 8.012 2.033 8.382 1.00 0.00 C ATOM 1763 CD PRO B 116 8.019 3.550 8.209 1.00 0.00 C ATOM 0 HA PRO B 116 10.839 3.156 9.818 1.00 0.00 H new ATOM 0 HB2 PRO B 116 9.502 0.817 9.411 1.00 0.00 H new ATOM 0 HB3 PRO B 116 8.740 2.015 10.438 1.00 0.00 H new ATOM 0 HG2 PRO B 116 8.237 1.514 7.450 1.00 0.00 H new ATOM 0 HG3 PRO B 116 7.045 1.665 8.726 1.00 0.00 H new ATOM 0 HD2 PRO B 116 7.760 3.826 7.187 1.00 0.00 H new ATOM 0 HD3 PRO B 116 7.284 4.020 8.862 1.00 0.00 H new ATOM 1771 N GLN B 117 11.898 1.305 8.342 1.00 0.00 N ATOM 1772 CA GLN B 117 12.755 0.477 7.492 1.00 0.00 C ATOM 1773 C GLN B 117 12.383 -0.991 7.742 1.00 0.00 C ATOM 1774 O GLN B 117 13.150 -1.790 8.288 1.00 0.00 O ATOM 1775 CB GLN B 117 14.245 0.802 7.704 1.00 0.00 C ATOM 1776 CG GLN B 117 14.672 1.955 6.790 1.00 0.00 C ATOM 1777 CD GLN B 117 16.127 2.360 7.015 1.00 0.00 C ATOM 1778 OE1 GLN B 117 17.031 1.972 6.285 1.00 0.00 O ATOM 1779 NE2 GLN B 117 16.417 3.154 8.025 1.00 0.00 N ATOM 0 H GLN B 117 11.978 1.057 9.328 1.00 0.00 H new ATOM 0 HA GLN B 117 12.587 0.692 6.437 1.00 0.00 H new ATOM 0 HB2 GLN B 117 14.421 1.070 8.746 1.00 0.00 H new ATOM 0 HB3 GLN B 117 14.850 -0.080 7.495 1.00 0.00 H new ATOM 0 HG2 GLN B 117 14.535 1.661 5.749 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.026 2.815 6.966 1.00 0.00 H new ATOM 0 HE21 GLN B 117 15.676 3.486 8.642 1.00 0.00 H new ATOM 0 HE22 GLN B 117 17.383 3.437 8.190 1.00 0.00 H new ATOM 1788 N LEU B 118 11.161 -1.326 7.315 1.00 0.00 N ATOM 1789 CA LEU B 118 10.608 -2.681 7.357 1.00 0.00 C ATOM 1790 C LEU B 118 11.372 -3.574 6.360 1.00 0.00 C ATOM 1791 O LEU B 118 12.143 -3.094 5.522 1.00 0.00 O ATOM 1792 CB LEU B 118 9.108 -2.641 6.989 1.00 0.00 C ATOM 1793 CG LEU B 118 8.192 -1.922 7.997 1.00 0.00 C ATOM 1794 CD1 LEU B 118 6.807 -1.719 7.383 1.00 0.00 C ATOM 1795 CD2 LEU B 118 8.020 -2.711 9.297 1.00 0.00 C ATOM 0 H LEU B 118 10.514 -0.644 6.921 1.00 0.00 H new ATOM 0 HA LEU B 118 10.715 -3.090 8.362 1.00 0.00 H new ATOM 0 HB2 LEU B 118 9.003 -2.154 6.019 1.00 0.00 H new ATOM 0 HB3 LEU B 118 8.754 -3.665 6.871 1.00 0.00 H new ATOM 0 HG LEU B 118 8.667 -0.969 8.229 1.00 0.00 H new ATOM 0 HD11 LEU B 118 6.162 -1.210 8.100 1.00 0.00 H new ATOM 0 HD12 LEU B 118 6.894 -1.114 6.480 1.00 0.00 H new ATOM 0 HD13 LEU B 118 6.375 -2.688 7.131 1.00 0.00 H new ATOM 0 HD21 LEU B 118 7.366 -2.160 9.973 1.00 0.00 H new ATOM 0 HD22 LEU B 118 7.579 -3.683 9.077 1.00 0.00 H new ATOM 0 HD23 LEU B 118 8.993 -2.852 9.768 1.00 0.00 H new ATOM 1807 N THR B 119 11.129 -4.878 6.428 1.00 0.00 N ATOM 1808 CA THR B 119 11.697 -5.871 5.508 1.00 0.00 C ATOM 1809 C THR B 119 10.622 -6.867 5.088 1.00 0.00 C ATOM 1810 O THR B 119 9.573 -6.981 5.735 1.00 0.00 O ATOM 1811 CB THR B 119 12.902 -6.607 6.120 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.511 -7.387 7.232 1.00 0.00 O ATOM 1813 CG2 THR B 119 14.018 -5.648 6.551 1.00 0.00 C ATOM 0 H THR B 119 10.520 -5.288 7.136 1.00 0.00 H new ATOM 0 HA THR B 119 12.060 -5.337 4.630 1.00 0.00 H new ATOM 0 HB THR B 119 13.291 -7.254 5.334 1.00 0.00 H new ATOM 0 HG1 THR B 119 13.294 -7.846 7.601 1.00 0.00 H new ATOM 0 HG21 THR B 119 14.844 -6.218 6.976 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.371 -5.088 5.685 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.633 -4.955 7.299 1.00 0.00 H new ATOM 1821 N SER B 120 10.890 -7.626 4.023 1.00 0.00 N ATOM 1822 CA SER B 120 10.009 -8.701 3.556 1.00 0.00 C ATOM 1823 C SER B 120 9.729 -9.681 4.698 1.00 0.00 C ATOM 1824 O SER B 120 8.568 -9.956 5.000 1.00 0.00 O ATOM 1825 CB SER B 120 10.612 -9.401 2.336 1.00 0.00 C ATOM 1826 OG SER B 120 11.977 -9.721 2.566 1.00 0.00 O ATOM 0 H SER B 120 11.730 -7.512 3.456 1.00 0.00 H new ATOM 0 HA SER B 120 9.057 -8.273 3.242 1.00 0.00 H new ATOM 0 HB2 SER B 120 10.052 -10.310 2.118 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.527 -8.756 1.461 1.00 0.00 H new ATOM 0 HG SER B 120 12.345 -10.169 1.776 1.00 0.00 H new ATOM 1832 N TYR B 121 10.788 -10.136 5.379 1.00 0.00 N ATOM 1833 CA TYR B 121 10.732 -10.999 6.561 1.00 0.00 C ATOM 1834 C TYR B 121 9.814 -10.418 7.650 1.00 0.00 C ATOM 1835 O TYR B 121 8.870 -11.089 8.069 1.00 0.00 O ATOM 1836 CB TYR B 121 12.149 -11.241 7.102 1.00 0.00 C ATOM 1837 CG TYR B 121 12.186 -12.167 8.306 1.00 0.00 C ATOM 1838 CD1 TYR B 121 12.069 -11.642 9.611 1.00 0.00 C ATOM 1839 CD2 TYR B 121 12.300 -13.558 8.120 1.00 0.00 C ATOM 1840 CE1 TYR B 121 12.055 -12.503 10.725 1.00 0.00 C ATOM 1841 CE2 TYR B 121 12.300 -14.424 9.233 1.00 0.00 C ATOM 1842 CZ TYR B 121 12.177 -13.900 10.538 1.00 0.00 C ATOM 1843 OH TYR B 121 12.166 -14.744 11.606 1.00 0.00 O ATOM 0 H TYR B 121 11.744 -9.903 5.110 1.00 0.00 H new ATOM 0 HA TYR B 121 10.302 -11.955 6.262 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.765 -11.664 6.309 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.594 -10.284 7.375 1.00 0.00 H new ATOM 0 HD1 TYR B 121 11.990 -10.575 9.756 1.00 0.00 H new ATOM 0 HD2 TYR B 121 12.388 -13.963 7.123 1.00 0.00 H new ATOM 0 HE1 TYR B 121 11.951 -12.098 11.721 1.00 0.00 H new ATOM 0 HE2 TYR B 121 12.394 -15.490 9.087 1.00 0.00 H new ATOM 0 HH TYR B 121 12.259 -15.668 11.294 1.00 0.00 H new ATOM 1853 N ASP B 122 10.062 -9.180 8.103 1.00 0.00 N ATOM 1854 CA ASP B 122 9.243 -8.510 9.126 1.00 0.00 C ATOM 1855 C ASP B 122 7.756 -8.500 8.744 1.00 0.00 C ATOM 1856 O ASP B 122 6.913 -8.884 9.556 1.00 0.00 O ATOM 1857 CB ASP B 122 9.728 -7.073 9.397 1.00 0.00 C ATOM 1858 CG ASP B 122 10.973 -6.965 10.302 1.00 0.00 C ATOM 1859 OD1 ASP B 122 11.313 -7.932 11.026 1.00 0.00 O ATOM 1860 OD2 ASP B 122 11.577 -5.866 10.353 1.00 0.00 O ATOM 0 H ASP B 122 10.840 -8.612 7.769 1.00 0.00 H new ATOM 0 HA ASP B 122 9.359 -9.088 10.043 1.00 0.00 H new ATOM 0 HB2 ASP B 122 9.948 -6.594 8.443 1.00 0.00 H new ATOM 0 HB3 ASP B 122 8.914 -6.511 9.856 1.00 0.00 H new ATOM 1865 N CYS B 123 7.428 -8.084 7.518 1.00 0.00 N ATOM 1866 CA CYS B 123 6.058 -8.044 7.005 1.00 0.00 C ATOM 1867 C CYS B 123 5.405 -9.442 6.987 1.00 0.00 C ATOM 1868 O CYS B 123 4.305 -9.609 7.512 1.00 0.00 O ATOM 1869 CB CYS B 123 6.040 -7.379 5.623 1.00 0.00 C ATOM 1870 SG CYS B 123 6.619 -5.660 5.725 1.00 0.00 S ATOM 0 H CYS B 123 8.120 -7.760 6.843 1.00 0.00 H new ATOM 0 HA CYS B 123 5.454 -7.441 7.683 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.673 -7.940 4.936 1.00 0.00 H new ATOM 0 HB3 CYS B 123 5.029 -7.403 5.216 1.00 0.00 H new ATOM 0 HG CYS B 123 7.918 -5.641 5.762 1.00 0.00 H new ATOM 1876 N GLU B 124 6.075 -10.452 6.417 1.00 0.00 N ATOM 1877 CA GLU B 124 5.611 -11.852 6.367 1.00 0.00 C ATOM 1878 C GLU B 124 5.330 -12.436 7.760 1.00 0.00 C ATOM 1879 O GLU B 124 4.396 -13.224 7.923 1.00 0.00 O ATOM 1880 CB GLU B 124 6.642 -12.751 5.658 1.00 0.00 C ATOM 1881 CG GLU B 124 6.656 -12.570 4.139 1.00 0.00 C ATOM 1882 CD GLU B 124 7.680 -13.512 3.487 1.00 0.00 C ATOM 1883 OE1 GLU B 124 8.907 -13.258 3.554 1.00 0.00 O ATOM 1884 OE2 GLU B 124 7.267 -14.512 2.855 1.00 0.00 O ATOM 0 H GLU B 124 6.979 -10.318 5.965 1.00 0.00 H new ATOM 0 HA GLU B 124 4.676 -11.835 5.806 1.00 0.00 H new ATOM 0 HB2 GLU B 124 7.635 -12.535 6.052 1.00 0.00 H new ATOM 0 HB3 GLU B 124 6.426 -13.794 5.891 1.00 0.00 H new ATOM 0 HG2 GLU B 124 5.663 -12.769 3.735 1.00 0.00 H new ATOM 0 HG3 GLU B 124 6.898 -11.536 3.894 1.00 0.00 H new ATOM 1891 N VAL B 125 6.151 -12.084 8.751 1.00 0.00 N ATOM 1892 CA VAL B 125 6.062 -12.510 10.155 1.00 0.00 C ATOM 1893 C VAL B 125 4.910 -11.819 10.892 1.00 0.00 C ATOM 1894 O VAL B 125 4.104 -12.478 11.549 1.00 0.00 O ATOM 1895 CB VAL B 125 7.420 -12.244 10.848 1.00 0.00 C ATOM 1896 CG1 VAL B 125 7.370 -12.170 12.380 1.00 0.00 C ATOM 1897 CG2 VAL B 125 8.410 -13.345 10.453 1.00 0.00 C ATOM 0 H VAL B 125 6.941 -11.459 8.590 1.00 0.00 H new ATOM 0 HA VAL B 125 5.844 -13.578 10.186 1.00 0.00 H new ATOM 0 HB VAL B 125 7.729 -11.257 10.505 1.00 0.00 H new ATOM 0 HG11 VAL B 125 8.371 -11.981 12.768 1.00 0.00 H new ATOM 0 HG12 VAL B 125 6.704 -11.362 12.684 1.00 0.00 H new ATOM 0 HG13 VAL B 125 6.999 -13.115 12.778 1.00 0.00 H new ATOM 0 HG21 VAL B 125 9.369 -13.163 10.938 1.00 0.00 H new ATOM 0 HG22 VAL B 125 8.022 -14.314 10.768 1.00 0.00 H new ATOM 0 HG23 VAL B 125 8.544 -13.342 9.371 1.00 0.00 H new ATOM 1907 N ASN B 126 4.852 -10.485 10.831 1.00 0.00 N ATOM 1908 CA ASN B 126 3.880 -9.658 11.550 1.00 0.00 C ATOM 1909 C ASN B 126 2.459 -9.704 10.968 1.00 0.00 C ATOM 1910 O ASN B 126 1.501 -9.748 11.744 1.00 0.00 O ATOM 1911 CB ASN B 126 4.420 -8.225 11.653 1.00 0.00 C ATOM 1912 CG ASN B 126 5.521 -8.131 12.693 1.00 0.00 C ATOM 1913 OD1 ASN B 126 5.276 -7.840 13.848 1.00 0.00 O ATOM 1914 ND2 ASN B 126 6.749 -8.435 12.350 1.00 0.00 N ATOM 0 H ASN B 126 5.498 -9.936 10.264 1.00 0.00 H new ATOM 0 HA ASN B 126 3.767 -10.080 12.549 1.00 0.00 H new ATOM 0 HB2 ASN B 126 4.803 -7.907 10.683 1.00 0.00 H new ATOM 0 HB3 ASN B 126 3.609 -7.545 11.914 1.00 0.00 H new ATOM 0 HD21 ASN B 126 7.491 -8.426 13.050 1.00 0.00 H new ATOM 0 HD22 ASN B 126 6.963 -8.680 11.383 1.00 0.00 H new ATOM 1921 N ALA B 127 2.308 -9.703 9.641 1.00 0.00 N ATOM 1922 CA ALA B 127 1.016 -9.760 8.953 1.00 0.00 C ATOM 1923 C ALA B 127 1.015 -10.839 7.840 1.00 0.00 C ATOM 1924 O ALA B 127 1.020 -10.502 6.649 1.00 0.00 O ATOM 1925 CB ALA B 127 0.682 -8.346 8.451 1.00 0.00 C ATOM 0 H ALA B 127 3.100 -9.662 9.000 1.00 0.00 H new ATOM 0 HA ALA B 127 0.226 -10.072 9.637 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.277 -8.361 7.934 1.00 0.00 H new ATOM 0 HB2 ALA B 127 0.627 -7.663 9.298 1.00 0.00 H new ATOM 0 HB3 ALA B 127 1.459 -8.011 7.764 1.00 0.00 H new ATOM 1931 N PRO B 128 0.989 -12.141 8.202 1.00 0.00 N ATOM 1932 CA PRO B 128 0.987 -13.260 7.256 1.00 0.00 C ATOM 1933 C PRO B 128 -0.069 -13.156 6.153 1.00 0.00 C ATOM 1934 O PRO B 128 -1.256 -12.953 6.417 1.00 0.00 O ATOM 1935 CB PRO B 128 0.745 -14.516 8.101 1.00 0.00 C ATOM 1936 CG PRO B 128 1.309 -14.141 9.465 1.00 0.00 C ATOM 1937 CD PRO B 128 0.971 -12.657 9.567 1.00 0.00 C ATOM 0 HA PRO B 128 1.937 -13.274 6.722 1.00 0.00 H new ATOM 0 HB2 PRO B 128 -0.315 -14.763 8.159 1.00 0.00 H new ATOM 0 HB3 PRO B 128 1.252 -15.385 7.682 1.00 0.00 H new ATOM 0 HG2 PRO B 128 0.848 -14.718 10.267 1.00 0.00 H new ATOM 0 HG3 PRO B 128 2.383 -14.317 9.522 1.00 0.00 H new ATOM 0 HD2 PRO B 128 -0.007 -12.511 10.026 1.00 0.00 H new ATOM 0 HD3 PRO B 128 1.696 -12.134 10.190 1.00 0.00 H new ATOM 1945 N ILE B 129 0.362 -13.330 4.905 1.00 0.00 N ATOM 1946 CA ILE B 129 -0.515 -13.340 3.728 1.00 0.00 C ATOM 1947 C ILE B 129 -1.353 -14.625 3.794 1.00 0.00 C ATOM 1948 O ILE B 129 -0.806 -15.726 3.919 1.00 0.00 O ATOM 1949 CB ILE B 129 0.323 -13.261 2.439 1.00 0.00 C ATOM 1950 CG1 ILE B 129 1.164 -11.964 2.397 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -0.578 -13.327 1.194 1.00 0.00 C ATOM 1952 CD1 ILE B 129 2.424 -12.134 1.546 1.00 0.00 C ATOM 0 H ILE B 129 1.346 -13.471 4.676 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.178 -12.474 3.720 1.00 0.00 H new ATOM 0 HB ILE B 129 0.997 -14.117 2.438 1.00 0.00 H new ATOM 0 HG12 ILE B 129 0.560 -11.151 1.994 1.00 0.00 H new ATOM 0 HG13 ILE B 129 1.445 -11.680 3.411 1.00 0.00 H new ATOM 0 HG21 ILE B 129 0.037 -13.269 0.296 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -1.132 -14.266 1.195 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -1.279 -12.493 1.208 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.988 -11.201 1.541 1.00 0.00 H new ATOM 0 HD12 ILE B 129 3.041 -12.929 1.964 1.00 0.00 H new ATOM 0 HD13 ILE B 129 2.142 -12.393 0.525 1.00 0.00 H new ATOM 1964 N GLN B 130 -2.678 -14.482 3.762 1.00 0.00 N ATOM 1965 CA GLN B 130 -3.614 -15.603 3.904 1.00 0.00 C ATOM 1966 C GLN B 130 -3.465 -16.651 2.788 1.00 0.00 C ATOM 1967 O GLN B 130 -3.206 -16.325 1.625 1.00 0.00 O ATOM 1968 CB GLN B 130 -5.057 -15.090 4.005 1.00 0.00 C ATOM 1969 CG GLN B 130 -5.262 -14.084 5.151 1.00 0.00 C ATOM 1970 CD GLN B 130 -4.861 -14.623 6.524 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -5.585 -15.376 7.161 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -3.718 -14.267 7.069 1.00 0.00 N ATOM 0 H GLN B 130 -3.137 -13.580 3.636 1.00 0.00 H new ATOM 0 HA GLN B 130 -3.362 -16.115 4.833 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -5.336 -14.619 3.062 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -5.728 -15.937 4.149 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -4.683 -13.185 4.941 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -6.311 -13.788 5.179 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -3.088 -13.640 6.569 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -3.462 -14.618 7.992 1.00 0.00 H new ATOM 2037 N LEU B 135 4.202 -12.491 -3.328 1.00 0.00 N ATOM 2038 CA LEU B 135 4.760 -11.200 -3.715 1.00 0.00 C ATOM 2039 C LEU B 135 3.971 -10.657 -4.914 1.00 0.00 C ATOM 2040 O LEU B 135 4.399 -10.752 -6.068 1.00 0.00 O ATOM 2041 CB LEU B 135 6.263 -11.296 -4.040 1.00 0.00 C ATOM 2042 CG LEU B 135 7.246 -11.419 -2.864 1.00 0.00 C ATOM 2043 CD1 LEU B 135 8.653 -11.301 -3.450 1.00 0.00 C ATOM 2044 CD2 LEU B 135 7.128 -10.298 -1.837 1.00 0.00 C ATOM 0 HA LEU B 135 4.669 -10.513 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU B 135 6.410 -12.158 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU B 135 6.538 -10.412 -4.615 1.00 0.00 H new ATOM 0 HG LEU B 135 7.031 -12.362 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU B 135 9.388 -11.383 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU B 135 8.814 -12.100 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU B 135 8.761 -10.336 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU B 135 7.854 -10.457 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU B 135 7.323 -9.340 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU B 135 6.122 -10.294 -1.416 1.00 0.00 H new ATOM 2056 N LEU B 136 2.814 -10.064 -4.625 1.00 0.00 N ATOM 2057 CA LEU B 136 1.950 -9.374 -5.584 1.00 0.00 C ATOM 2058 C LEU B 136 2.799 -8.239 -6.200 1.00 0.00 C ATOM 2059 O LEU B 136 3.291 -7.375 -5.471 1.00 0.00 O ATOM 2060 CB LEU B 136 0.708 -8.887 -4.804 1.00 0.00 C ATOM 2061 CG LEU B 136 -0.523 -8.422 -5.598 1.00 0.00 C ATOM 2062 CD1 LEU B 136 -0.201 -7.341 -6.618 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -1.234 -9.566 -6.319 1.00 0.00 C ATOM 0 H LEU B 136 2.437 -10.050 -3.678 1.00 0.00 H new ATOM 0 HA LEU B 136 1.589 -9.996 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU B 136 0.391 -9.697 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU B 136 1.021 -8.061 -4.165 1.00 0.00 H new ATOM 0 HG LEU B 136 -1.187 -8.009 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -1.111 -7.056 -7.145 1.00 0.00 H new ATOM 0 HD12 LEU B 136 0.211 -6.470 -6.108 1.00 0.00 H new ATOM 0 HD13 LEU B 136 0.529 -7.721 -7.333 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -2.095 -9.175 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU B 136 -0.546 -10.037 -7.021 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -1.570 -10.303 -5.590 1.00 0.00 H new ATOM 2075 N GLN B 137 3.044 -8.280 -7.515 1.00 0.00 N ATOM 2076 CA GLN B 137 3.944 -7.352 -8.222 1.00 0.00 C ATOM 2077 C GLN B 137 3.468 -6.965 -9.636 1.00 0.00 C ATOM 2078 O GLN B 137 2.564 -7.583 -10.202 1.00 0.00 O ATOM 2079 CB GLN B 137 5.361 -7.958 -8.238 1.00 0.00 C ATOM 2080 CG GLN B 137 5.486 -9.223 -9.106 1.00 0.00 C ATOM 2081 CD GLN B 137 6.755 -10.003 -8.778 1.00 0.00 C ATOM 2082 OE1 GLN B 137 7.758 -9.957 -9.478 1.00 0.00 O ATOM 2083 NE2 GLN B 137 6.750 -10.753 -7.698 1.00 0.00 N ATOM 0 H GLN B 137 2.616 -8.971 -8.132 1.00 0.00 H new ATOM 0 HA GLN B 137 3.944 -6.409 -7.675 1.00 0.00 H new ATOM 0 HB2 GLN B 137 6.063 -7.208 -8.602 1.00 0.00 H new ATOM 0 HB3 GLN B 137 5.654 -8.199 -7.216 1.00 0.00 H new ATOM 0 HG2 GLN B 137 4.615 -9.860 -8.950 1.00 0.00 H new ATOM 0 HG3 GLN B 137 5.492 -8.944 -10.160 1.00 0.00 H new ATOM 0 HE21 GLN B 137 5.917 -10.796 -7.111 1.00 0.00 H new ATOM 0 HE22 GLN B 137 7.579 -11.292 -7.448 1.00 0.00 H new ATOM 2092 N GLY B 138 4.093 -5.932 -10.213 1.00 0.00 N ATOM 2093 CA GLY B 138 3.802 -5.399 -11.549 1.00 0.00 C ATOM 2094 C GLY B 138 2.434 -4.732 -11.675 1.00 0.00 C ATOM 2095 O GLY B 138 1.968 -4.100 -10.731 1.00 0.00 O ATOM 0 H GLY B 138 4.844 -5.425 -9.744 1.00 0.00 H new ATOM 0 HA2 GLY B 138 4.572 -4.675 -11.814 1.00 0.00 H new ATOM 0 HA3 GLY B 138 3.865 -6.211 -12.273 1.00 0.00 H new ATOM 2099 N GLU B 139 1.788 -4.835 -12.838 1.00 0.00 N ATOM 2100 CA GLU B 139 0.477 -4.210 -13.110 1.00 0.00 C ATOM 2101 C GLU B 139 -0.591 -4.576 -12.060 1.00 0.00 C ATOM 2102 O GLU B 139 -1.420 -3.743 -11.689 1.00 0.00 O ATOM 2103 CB GLU B 139 0.021 -4.569 -14.532 1.00 0.00 C ATOM 2104 CG GLU B 139 -1.157 -3.702 -14.997 1.00 0.00 C ATOM 2105 CD GLU B 139 -1.603 -4.085 -16.418 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -0.970 -3.640 -17.407 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -2.610 -4.823 -16.549 1.00 0.00 O ATOM 0 H GLU B 139 2.158 -5.359 -13.631 1.00 0.00 H new ATOM 0 HA GLU B 139 0.601 -3.130 -13.037 1.00 0.00 H new ATOM 0 HB2 GLU B 139 0.856 -4.446 -15.222 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -0.267 -5.620 -14.565 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -1.993 -3.819 -14.307 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -0.869 -2.651 -14.974 1.00 0.00 H new ATOM 2114 N GLU B 140 -0.540 -5.808 -11.540 1.00 0.00 N ATOM 2115 CA GLU B 140 -1.421 -6.306 -10.477 1.00 0.00 C ATOM 2116 C GLU B 140 -1.406 -5.396 -9.237 1.00 0.00 C ATOM 2117 O GLU B 140 -2.450 -5.235 -8.604 1.00 0.00 O ATOM 2118 CB GLU B 140 -1.035 -7.734 -10.063 1.00 0.00 C ATOM 2119 CG GLU B 140 -1.091 -8.779 -11.181 1.00 0.00 C ATOM 2120 CD GLU B 140 -2.501 -8.916 -11.790 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -3.412 -9.449 -11.112 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -2.704 -8.501 -12.956 1.00 0.00 O ATOM 0 H GLU B 140 0.134 -6.505 -11.856 1.00 0.00 H new ATOM 0 HA GLU B 140 -2.430 -6.308 -10.889 1.00 0.00 H new ATOM 0 HB2 GLU B 140 -0.024 -7.716 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -1.697 -8.052 -9.258 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -0.385 -8.506 -11.965 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -0.773 -9.745 -10.788 1.00 0.00 H new ATOM 2129 N LEU B 141 -0.259 -4.773 -8.912 1.00 0.00 N ATOM 2130 CA LEU B 141 -0.128 -3.807 -7.816 1.00 0.00 C ATOM 2131 C LEU B 141 -1.137 -2.686 -8.025 1.00 0.00 C ATOM 2132 O LEU B 141 -2.046 -2.511 -7.223 1.00 0.00 O ATOM 2133 CB LEU B 141 1.276 -3.167 -7.764 1.00 0.00 C ATOM 2134 CG LEU B 141 2.416 -4.093 -7.342 1.00 0.00 C ATOM 2135 CD1 LEU B 141 3.746 -3.479 -7.779 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.451 -4.247 -5.827 1.00 0.00 C ATOM 0 H LEU B 141 0.615 -4.932 -9.414 1.00 0.00 H new ATOM 0 HA LEU B 141 -0.300 -4.346 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.507 -2.764 -8.750 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.244 -2.324 -7.074 1.00 0.00 H new ATOM 0 HG LEU B 141 2.258 -5.066 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU B 141 4.565 -4.134 -7.481 1.00 0.00 H new ATOM 0 HD12 LEU B 141 3.753 -3.359 -8.862 1.00 0.00 H new ATOM 0 HD13 LEU B 141 3.870 -2.505 -7.305 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.270 -4.910 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU B 141 2.601 -3.271 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU B 141 1.508 -4.670 -5.482 1.00 0.00 H new ATOM 2148 N LEU B 142 -0.972 -1.931 -9.111 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.792 -0.775 -9.458 1.00 0.00 C ATOM 2150 C LEU B 142 -3.286 -1.129 -9.476 1.00 0.00 C ATOM 2151 O LEU B 142 -4.089 -0.383 -8.918 1.00 0.00 O ATOM 2152 CB LEU B 142 -1.306 -0.136 -10.768 1.00 0.00 C ATOM 2153 CG LEU B 142 0.217 0.086 -10.902 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.473 1.077 -12.036 1.00 0.00 C ATOM 2155 CD2 LEU B 142 0.896 0.638 -9.644 1.00 0.00 C ATOM 0 H LEU B 142 -0.238 -2.115 -9.795 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.674 -0.021 -8.680 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -1.634 -0.764 -11.596 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -1.803 0.827 -10.883 1.00 0.00 H new ATOM 0 HG LEU B 142 0.644 -0.899 -11.090 1.00 0.00 H new ATOM 0 HD11 LEU B 142 1.545 1.242 -12.140 1.00 0.00 H new ATOM 0 HD12 LEU B 142 0.076 0.674 -12.968 1.00 0.00 H new ATOM 0 HD13 LEU B 142 -0.019 2.023 -11.810 1.00 0.00 H new ATOM 0 HD21 LEU B 142 1.963 0.762 -9.831 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.458 1.603 -9.388 1.00 0.00 H new ATOM 0 HD23 LEU B 142 0.751 -0.057 -8.817 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.650 -2.283 -10.055 1.00 0.00 N ATOM 2168 CA ARG B 143 -5.024 -2.824 -10.059 1.00 0.00 C ATOM 2169 C ARG B 143 -5.553 -2.993 -8.626 1.00 0.00 C ATOM 2170 O ARG B 143 -6.637 -2.500 -8.311 1.00 0.00 O ATOM 2171 CB ARG B 143 -5.079 -4.149 -10.841 1.00 0.00 C ATOM 2172 CG ARG B 143 -4.860 -3.948 -12.348 1.00 0.00 C ATOM 2173 CD ARG B 143 -4.849 -5.296 -13.081 1.00 0.00 C ATOM 2174 NE ARG B 143 -4.735 -5.121 -14.542 1.00 0.00 N ATOM 2175 CZ ARG B 143 -5.698 -4.981 -15.432 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -6.964 -4.958 -15.115 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -5.381 -4.855 -16.685 1.00 0.00 N ATOM 0 H ARG B 143 -2.985 -2.882 -10.545 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.675 -2.110 -10.564 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -4.320 -4.828 -10.454 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -6.046 -4.625 -10.677 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -5.649 -3.315 -12.754 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -3.916 -3.429 -12.517 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -4.016 -5.900 -12.721 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -5.763 -5.843 -12.850 1.00 0.00 H new ATOM 0 HE ARG B 143 -3.785 -5.106 -14.913 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -7.247 -5.051 -14.140 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -7.670 -4.847 -15.843 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -4.401 -4.865 -16.967 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -6.112 -4.746 -17.388 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.790 -3.663 -7.756 1.00 0.00 N ATOM 2192 CA ALA B 144 -5.111 -3.864 -6.343 1.00 0.00 C ATOM 2193 C ALA B 144 -5.223 -2.524 -5.583 1.00 0.00 C ATOM 2194 O ALA B 144 -6.226 -2.293 -4.911 1.00 0.00 O ATOM 2195 CB ALA B 144 -4.083 -4.816 -5.712 1.00 0.00 C ATOM 0 H ALA B 144 -3.905 -4.093 -8.026 1.00 0.00 H new ATOM 0 HA ALA B 144 -6.094 -4.328 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -4.323 -4.965 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -4.110 -5.775 -6.229 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -3.086 -4.384 -5.799 1.00 0.00 H new ATOM 2201 N LEU B 145 -4.231 -1.629 -5.698 1.00 0.00 N ATOM 2202 CA LEU B 145 -4.228 -0.297 -5.073 1.00 0.00 C ATOM 2203 C LEU B 145 -5.471 0.519 -5.469 1.00 0.00 C ATOM 2204 O LEU B 145 -6.109 1.152 -4.629 1.00 0.00 O ATOM 2205 CB LEU B 145 -2.968 0.514 -5.454 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.588 -0.046 -5.067 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.497 0.935 -5.452 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.414 -0.318 -3.583 1.00 0.00 C ATOM 0 H LEU B 145 -3.388 -1.815 -6.241 1.00 0.00 H new ATOM 0 HA LEU B 145 -4.234 -0.470 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -2.978 0.653 -6.535 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -3.062 1.503 -5.005 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.516 -0.992 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.474 0.527 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.524 1.105 -6.528 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.657 1.879 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.414 -0.710 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.548 0.609 -3.025 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -2.155 -1.048 -3.258 1.00 0.00 H new ATOM 2220 N ASP B 146 -5.799 0.538 -6.764 1.00 0.00 N ATOM 2221 CA ASP B 146 -6.908 1.310 -7.325 1.00 0.00 C ATOM 2222 C ASP B 146 -8.317 0.868 -6.882 1.00 0.00 C ATOM 2223 O ASP B 146 -9.259 1.652 -7.017 1.00 0.00 O ATOM 2224 CB ASP B 146 -6.791 1.369 -8.854 1.00 0.00 C ATOM 2225 CG ASP B 146 -7.687 2.464 -9.457 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -7.599 3.626 -8.989 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -8.450 2.177 -10.409 1.00 0.00 O ATOM 0 H ASP B 146 -5.288 0.004 -7.467 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.805 2.311 -6.905 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -5.754 1.555 -9.132 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -7.065 0.402 -9.276 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.492 -0.346 -6.341 1.00 0.00 N ATOM 2233 CA GLN B 147 -9.804 -0.827 -5.874 1.00 0.00 C ATOM 2234 C GLN B 147 -10.392 0.020 -4.725 1.00 0.00 C ATOM 2235 O GLN B 147 -11.616 0.081 -4.578 1.00 0.00 O ATOM 2236 CB GLN B 147 -9.780 -2.345 -5.604 1.00 0.00 C ATOM 2237 CG GLN B 147 -9.365 -2.745 -4.180 1.00 0.00 C ATOM 2238 CD GLN B 147 -9.060 -4.238 -4.012 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -9.238 -5.072 -4.894 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -8.574 -4.647 -2.861 1.00 0.00 N ATOM 0 H GLN B 147 -7.736 -1.019 -6.215 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.514 -0.679 -6.688 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -10.772 -2.750 -5.804 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -9.095 -2.814 -6.311 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -8.483 -2.171 -3.896 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -10.162 -2.468 -3.490 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -8.415 -3.978 -2.108 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -8.356 -5.634 -2.721 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.552 0.726 -3.951 1.00 0.00 N ATOM 2250 CA VAL B 148 -10.000 1.675 -2.919 1.00 0.00 C ATOM 2251 C VAL B 148 -10.733 2.821 -3.622 1.00 0.00 C ATOM 2252 O VAL B 148 -10.171 3.458 -4.513 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.839 2.281 -2.103 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -9.392 3.009 -0.870 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.817 1.273 -1.584 1.00 0.00 C ATOM 0 H VAL B 148 -8.537 0.654 -4.024 1.00 0.00 H new ATOM 0 HA VAL B 148 -10.637 1.128 -2.223 1.00 0.00 H new ATOM 0 HB VAL B 148 -8.332 2.943 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -8.567 3.434 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -10.062 3.807 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -9.940 2.303 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -7.042 1.796 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -8.313 0.554 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -7.365 0.748 -2.425 1.00 0.00 H new ATOM 2265 N ASN B 149 -11.983 3.096 -3.268 1.00 0.00 N ATOM 2266 CA ASN B 149 -12.767 4.178 -3.891 1.00 0.00 C ATOM 2267 C ASN B 149 -13.773 4.829 -2.924 1.00 0.00 C ATOM 2268 O ASN B 149 -14.012 6.053 -3.043 1.00 0.00 O ATOM 2269 CB ASN B 149 -13.455 3.625 -5.163 1.00 0.00 C ATOM 2270 CG ASN B 149 -14.562 2.618 -4.882 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -15.740 2.942 -4.894 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -14.234 1.369 -4.642 1.00 0.00 N ATOM 2273 OXT ASN B 149 -14.332 4.112 -2.066 1.00 0.00 O ATOM 0 H ASN B 149 -12.488 2.583 -2.545 1.00 0.00 H new ATOM 0 HA ASN B 149 -12.086 4.983 -4.167 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -13.871 4.458 -5.729 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -12.702 3.154 -5.795 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -14.961 0.675 -4.467 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -13.252 1.093 -4.631 1.00 0.00 H new