USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=30 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 : +bothHN:sc= -0.294 K(o=3.2,f=0.59!) USER MOD Set 1.2: A 77 CYS SG : rot -157:sc=-0.00521 USER MOD Set 1.3: A 82 CYS SG : rot -90:sc= 2.47 USER MOD Set 1.4: A 85 CYS SG : rot 112:sc= 1.07 USER MOD Set 2.1: A 75 LYS NZ :NH3+ 159:sc= 1.12 (180deg=0) USER MOD Set 2.2: B 147 GLN : amide:sc= 2.36 K(o=3.5,f=-7.3!) USER MOD Set 3.1: A 66 SER OG : rot -78:sc= 0.0561 USER MOD Set 3.2: B 123 CYS SG : rot -140:sc= -0.034 USER MOD Set 4.1: A 49 HIS : no HE2:sc= -0.873 K(o=2.7,f=1.8) USER MOD Set 4.2: A 53 CYS SG : rot -154:sc= 1.2 USER MOD Set 4.3: A 59 CYS SG : rot 141:sc= 0.775 USER MOD Set 4.4: A 64 CYS SG : rot -165:sc= 1.55 USER MOD Set 5.1: A 39 HIS : no HD1:sc= 0.594 K(o=1.4,f=-4.1!) USER MOD Set 5.2: A 42 THR OG1 : rot 150:sc= 0.833 USER MOD Set 6.1: A 18 HIS :FLIP no HD1:sc= 0.56 F(o=-1.2,f=4.5) USER MOD Set 6.2: A 22 CYS SG : rot 89:sc= 0.355 USER MOD Set 6.3: A 40 CYS SG : rot 115:sc= 1.81 USER MOD Set 6.4: A 44 LYS NZ :NH3+ -156:sc= 1.81 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.0777 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.13) 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=-0.32) USER MOD Single : A 11 GLN : amide:sc= 0.888 K(o=0.89,f=0) USER MOD Single : A 12 GLN : amide:sc=-0.00502 X(o=-0.005,f=-0.088) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0.735) USER MOD Single : A 43 MET CE :methyl 152:sc= -0.431 (180deg=-1.54) USER MOD Single : A 45 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -179:sc= -0.904 (180deg=-0.908) USER MOD Single : A 51 THR OG1 : rot 42:sc= 0.682 USER MOD Single : A 52 HIS : no HE2:sc= 1.04 K(o=1,f=-3.1!) USER MOD Single : A 54 GLN : amide:sc= 0.856 K(o=0.86,f=-0.0033) USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 1.05 (180deg=1.02) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0.777 K(o=0.78,f=-3!) USER MOD Single : A 67 SER OG : rot -78:sc= 1.16 USER MOD Single : A 69 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.31) USER MOD Single : A 72 SER OG : rot 76:sc= 1.63 USER MOD Single : A 76 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 78 THR OG1 : rot -46:sc= 0.0116 USER MOD Single : A 80 HIS : no HD1:sc= -0.0358 X(o=-0.036,f=-0.036) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 THR OG1 : rot 180:sc= 0.00755 USER MOD Single : B 120 SER OG : rot 180:sc= 0.00748 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 126 ASN : amide:sc= 1.65 K(o=1.7,f=-4.1!) USER MOD Single : B 130 GLN : amide:sc= 0.114 K(o=0.11,f=-3!) USER MOD Single : B 137 GLN : amide:sc= 0.565 K(o=0.57,f=-2.5!) USER MOD Single : B 149 ASN : amide:sc= 0.888 K(o=0.89,f=-0.0045) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.015 -11.690 15.555 1.00 0.00 N ATOM 2 CA ALA A 1 6.131 -10.520 15.328 1.00 0.00 C ATOM 3 C ALA A 1 6.165 -9.576 16.539 1.00 0.00 C ATOM 4 O ALA A 1 6.468 -10.008 17.653 1.00 0.00 O ATOM 5 CB ALA A 1 4.701 -10.967 14.979 1.00 0.00 C ATOM 0 H1 ALA A 1 6.548 -12.551 15.206 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.911 -11.552 15.046 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.207 -11.788 16.572 1.00 0.00 H new ATOM 0 HA ALA A 1 6.505 -9.962 14.470 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.075 -10.090 14.818 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.720 -11.571 14.072 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.294 -11.558 15.800 1.00 0.00 H new ATOM 13 N ASP A 2 5.878 -8.285 16.343 1.00 0.00 N ATOM 14 CA ASP A 2 5.916 -7.245 17.387 1.00 0.00 C ATOM 15 C ASP A 2 4.832 -6.162 17.167 1.00 0.00 C ATOM 16 O ASP A 2 4.603 -5.770 16.018 1.00 0.00 O ATOM 17 CB ASP A 2 7.323 -6.619 17.372 1.00 0.00 C ATOM 18 CG ASP A 2 7.563 -5.676 18.560 1.00 0.00 C ATOM 19 OD1 ASP A 2 7.103 -4.515 18.502 1.00 0.00 O ATOM 20 OD2 ASP A 2 8.203 -6.103 19.551 1.00 0.00 O ATOM 0 H ASP A 2 5.605 -7.920 15.430 1.00 0.00 H new ATOM 0 HA ASP A 2 5.705 -7.696 18.356 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.070 -7.413 17.386 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.461 -6.068 16.442 1.00 0.00 H new ATOM 25 N PRO A 3 4.162 -5.647 18.221 1.00 0.00 N ATOM 26 CA PRO A 3 3.133 -4.611 18.091 1.00 0.00 C ATOM 27 C PRO A 3 3.625 -3.333 17.397 1.00 0.00 C ATOM 28 O PRO A 3 2.891 -2.765 16.591 1.00 0.00 O ATOM 29 CB PRO A 3 2.609 -4.343 19.506 1.00 0.00 C ATOM 30 CG PRO A 3 3.741 -4.825 20.408 1.00 0.00 C ATOM 31 CD PRO A 3 4.317 -6.002 19.626 1.00 0.00 C ATOM 0 HA PRO A 3 2.336 -4.963 17.435 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.397 -3.285 19.661 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.684 -4.886 19.700 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.485 -4.046 20.574 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.375 -5.131 21.388 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.365 -6.165 19.877 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.787 -6.925 19.859 1.00 0.00 H new ATOM 39 N GLU A 4 4.856 -2.879 17.649 1.00 0.00 N ATOM 40 CA GLU A 4 5.420 -1.702 16.976 1.00 0.00 C ATOM 41 C GLU A 4 5.566 -1.958 15.470 1.00 0.00 C ATOM 42 O GLU A 4 5.148 -1.133 14.660 1.00 0.00 O ATOM 43 CB GLU A 4 6.739 -1.283 17.634 1.00 0.00 C ATOM 44 CG GLU A 4 7.263 0.054 17.097 1.00 0.00 C ATOM 45 CD GLU A 4 8.543 0.473 17.847 1.00 0.00 C ATOM 46 OE1 GLU A 4 8.440 1.156 18.896 1.00 0.00 O ATOM 47 OE2 GLU A 4 9.660 0.119 17.399 1.00 0.00 O ATOM 0 H GLU A 4 5.488 -3.313 18.321 1.00 0.00 H new ATOM 0 HA GLU A 4 4.731 -0.865 17.089 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.596 -1.207 18.712 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.488 -2.057 17.466 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.471 -0.032 16.031 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.499 0.823 17.212 1.00 0.00 H new ATOM 54 N LYS A 5 6.080 -3.130 15.074 1.00 0.00 N ATOM 55 CA LYS A 5 6.149 -3.536 13.659 1.00 0.00 C ATOM 56 C LYS A 5 4.755 -3.553 13.022 1.00 0.00 C ATOM 57 O LYS A 5 4.621 -3.156 11.867 1.00 0.00 O ATOM 58 CB LYS A 5 6.899 -4.865 13.479 1.00 0.00 C ATOM 59 CG LYS A 5 8.389 -4.710 13.822 1.00 0.00 C ATOM 60 CD LYS A 5 9.149 -6.027 13.624 1.00 0.00 C ATOM 61 CE LYS A 5 10.629 -5.823 13.970 1.00 0.00 C ATOM 62 NZ LYS A 5 11.405 -7.078 13.801 1.00 0.00 N ATOM 0 H LYS A 5 6.459 -3.822 15.720 1.00 0.00 H new ATOM 0 HA LYS A 5 6.733 -2.786 13.125 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.453 -5.627 14.118 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.793 -5.209 12.450 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.830 -3.936 13.194 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.494 -4.380 14.855 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.721 -6.804 14.257 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.049 -6.365 12.592 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.049 -5.045 13.332 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.719 -5.474 14.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.421 -6.857 13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.210 -7.717 14.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.128 -7.540 12.911 1.00 0.00 H new ATOM 76 N ARG A 6 3.704 -3.922 13.770 1.00 0.00 N ATOM 77 CA ARG A 6 2.311 -3.850 13.291 1.00 0.00 C ATOM 78 C ARG A 6 1.905 -2.392 13.041 1.00 0.00 C ATOM 79 O ARG A 6 1.400 -2.117 11.956 1.00 0.00 O ATOM 80 CB ARG A 6 1.330 -4.622 14.190 1.00 0.00 C ATOM 81 CG ARG A 6 1.582 -6.137 14.088 1.00 0.00 C ATOM 82 CD ARG A 6 0.467 -6.976 14.723 1.00 0.00 C ATOM 83 NE ARG A 6 0.387 -6.823 16.191 1.00 0.00 N ATOM 84 CZ ARG A 6 1.045 -7.509 17.110 1.00 0.00 C ATOM 85 NH1 ARG A 6 1.998 -8.345 16.810 1.00 0.00 N ATOM 86 NH2 ARG A 6 0.751 -7.367 18.369 1.00 0.00 N ATOM 0 H ARG A 6 3.793 -4.278 14.722 1.00 0.00 H new ATOM 0 HA ARG A 6 2.257 -4.364 12.331 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.443 -4.298 15.224 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.305 -4.397 13.896 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.683 -6.413 13.038 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.529 -6.375 14.573 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.488 -6.692 14.282 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.630 -8.027 14.482 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.250 -6.105 16.535 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.261 -8.490 15.835 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.481 -8.855 17.550 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.010 -6.725 18.650 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.261 -7.898 19.075 1.00 0.00 H new ATOM 100 N LYS A 7 2.189 -1.452 13.958 1.00 0.00 N ATOM 101 CA LYS A 7 1.957 0.002 13.756 1.00 0.00 C ATOM 102 C LYS A 7 2.603 0.488 12.452 1.00 0.00 C ATOM 103 O LYS A 7 1.951 1.139 11.636 1.00 0.00 O ATOM 104 CB LYS A 7 2.518 0.865 14.899 1.00 0.00 C ATOM 105 CG LYS A 7 1.951 0.622 16.302 1.00 0.00 C ATOM 106 CD LYS A 7 2.745 1.495 17.280 1.00 0.00 C ATOM 107 CE LYS A 7 2.059 1.609 18.643 1.00 0.00 C ATOM 108 NZ LYS A 7 2.773 2.582 19.510 1.00 0.00 N ATOM 0 H LYS A 7 2.589 -1.674 14.870 1.00 0.00 H new ATOM 0 HA LYS A 7 0.874 0.118 13.723 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.597 0.713 14.939 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.353 1.912 14.644 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.891 0.875 16.336 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.036 -0.431 16.572 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.742 1.075 17.411 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.872 2.491 16.855 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.024 1.924 18.510 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.035 0.632 19.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.292 2.645 20.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.753 2.266 19.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.774 3.517 19.055 1.00 0.00 H new ATOM 122 N LEU A 8 3.887 0.171 12.263 1.00 0.00 N ATOM 123 CA LEU A 8 4.681 0.516 11.079 1.00 0.00 C ATOM 124 C LEU A 8 4.023 -0.006 9.789 1.00 0.00 C ATOM 125 O LEU A 8 3.822 0.753 8.839 1.00 0.00 O ATOM 126 CB LEU A 8 6.110 -0.033 11.234 1.00 0.00 C ATOM 127 CG LEU A 8 6.952 0.570 12.374 1.00 0.00 C ATOM 128 CD1 LEU A 8 8.291 -0.163 12.475 1.00 0.00 C ATOM 129 CD2 LEU A 8 7.243 2.053 12.167 1.00 0.00 C ATOM 0 H LEU A 8 4.422 -0.352 12.956 1.00 0.00 H new ATOM 0 HA LEU A 8 4.728 1.602 10.997 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.048 -1.110 11.387 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.641 0.125 10.295 1.00 0.00 H new ATOM 0 HG LEU A 8 6.367 0.456 13.286 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.882 0.268 13.283 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.113 -1.219 12.679 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.833 -0.061 11.535 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.839 2.426 13.000 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.794 2.189 11.236 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.304 2.604 12.117 1.00 0.00 H new ATOM 141 N ILE A 9 3.669 -1.295 9.762 1.00 0.00 N ATOM 142 CA ILE A 9 2.977 -1.964 8.650 1.00 0.00 C ATOM 143 C ILE A 9 1.634 -1.271 8.368 1.00 0.00 C ATOM 144 O ILE A 9 1.405 -0.862 7.232 1.00 0.00 O ATOM 145 CB ILE A 9 2.863 -3.481 8.930 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.267 -4.117 8.789 1.00 0.00 C ATOM 147 CG2 ILE A 9 1.878 -4.186 7.979 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.372 -5.523 9.385 1.00 0.00 C ATOM 0 H ILE A 9 3.862 -1.925 10.540 1.00 0.00 H new ATOM 0 HA ILE A 9 3.558 -1.873 7.732 1.00 0.00 H new ATOM 0 HB ILE A 9 2.475 -3.608 9.941 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.532 -4.160 7.732 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.998 -3.471 9.275 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.837 -5.248 8.220 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.886 -3.749 8.094 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.213 -4.060 6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.385 -5.902 9.248 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.140 -5.485 10.449 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.666 -6.185 8.883 1.00 0.00 H new ATOM 160 N GLN A 10 0.772 -1.091 9.380 1.00 0.00 N ATOM 161 CA GLN A 10 -0.521 -0.387 9.296 1.00 0.00 C ATOM 162 C GLN A 10 -0.369 0.979 8.610 1.00 0.00 C ATOM 163 O GLN A 10 -1.044 1.259 7.619 1.00 0.00 O ATOM 164 CB GLN A 10 -1.127 -0.199 10.700 1.00 0.00 C ATOM 165 CG GLN A 10 -1.736 -1.480 11.273 1.00 0.00 C ATOM 166 CD GLN A 10 -2.189 -1.304 12.719 1.00 0.00 C ATOM 167 OE1 GLN A 10 -1.465 -1.572 13.670 1.00 0.00 O ATOM 168 NE2 GLN A 10 -3.405 -0.853 12.946 1.00 0.00 N ATOM 0 H GLN A 10 0.962 -1.445 10.317 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.192 -1.002 8.695 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.352 0.161 11.377 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.896 0.572 10.656 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.586 -1.781 10.661 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.003 -2.285 11.219 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.019 -0.626 12.164 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.733 -0.731 13.904 1.00 0.00 H new ATOM 177 N GLN A 11 0.541 1.811 9.125 1.00 0.00 N ATOM 178 CA GLN A 11 0.880 3.128 8.589 1.00 0.00 C ATOM 179 C GLN A 11 1.247 3.027 7.099 1.00 0.00 C ATOM 180 O GLN A 11 0.571 3.629 6.266 1.00 0.00 O ATOM 181 CB GLN A 11 2.017 3.716 9.442 1.00 0.00 C ATOM 182 CG GLN A 11 2.398 5.153 9.069 1.00 0.00 C ATOM 183 CD GLN A 11 3.759 5.525 9.649 1.00 0.00 C ATOM 184 OE1 GLN A 11 3.965 5.559 10.852 1.00 0.00 O ATOM 185 NE2 GLN A 11 4.735 5.809 8.815 1.00 0.00 N ATOM 0 H GLN A 11 1.081 1.575 9.958 1.00 0.00 H new ATOM 0 HA GLN A 11 0.023 3.799 8.644 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.721 3.690 10.491 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.897 3.081 9.343 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.420 5.257 7.984 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.640 5.842 9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.570 5.783 7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.657 6.056 9.174 1.00 0.00 H new ATOM 194 N GLN A 12 2.286 2.258 6.744 1.00 0.00 N ATOM 195 CA GLN A 12 2.715 2.069 5.351 1.00 0.00 C ATOM 196 C GLN A 12 1.595 1.566 4.426 1.00 0.00 C ATOM 197 O GLN A 12 1.513 2.030 3.292 1.00 0.00 O ATOM 198 CB GLN A 12 3.962 1.176 5.255 1.00 0.00 C ATOM 199 CG GLN A 12 5.239 1.948 5.629 1.00 0.00 C ATOM 200 CD GLN A 12 6.505 1.200 5.218 1.00 0.00 C ATOM 201 OE1 GLN A 12 7.324 0.806 6.034 1.00 0.00 O ATOM 202 NE2 GLN A 12 6.731 0.995 3.936 1.00 0.00 N ATOM 0 H GLN A 12 2.855 1.747 7.419 1.00 0.00 H new ATOM 0 HA GLN A 12 2.981 3.062 4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.848 0.317 5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.055 0.787 4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.224 2.926 5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.255 2.122 6.705 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.057 1.318 3.241 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.580 0.514 3.638 1.00 0.00 H new ATOM 211 N LEU A 13 0.725 0.656 4.882 1.00 0.00 N ATOM 212 CA LEU A 13 -0.424 0.137 4.138 1.00 0.00 C ATOM 213 C LEU A 13 -1.309 1.310 3.675 1.00 0.00 C ATOM 214 O LEU A 13 -1.559 1.472 2.482 1.00 0.00 O ATOM 215 CB LEU A 13 -1.149 -0.915 5.013 1.00 0.00 C ATOM 216 CG LEU A 13 -1.856 -2.034 4.226 1.00 0.00 C ATOM 217 CD1 LEU A 13 -2.058 -3.281 5.090 1.00 0.00 C ATOM 218 CD2 LEU A 13 -3.228 -1.628 3.712 1.00 0.00 C ATOM 0 H LEU A 13 0.807 0.248 5.813 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.120 -0.378 3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.423 -1.368 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.886 -0.405 5.633 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.198 -2.239 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.560 -4.052 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.089 -3.652 5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.669 -3.028 5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.673 -2.460 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.868 -1.362 4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.128 -0.770 3.047 1.00 0.00 H new ATOM 230 N VAL A 14 -1.725 2.177 4.604 1.00 0.00 N ATOM 231 CA VAL A 14 -2.541 3.370 4.331 1.00 0.00 C ATOM 232 C VAL A 14 -1.781 4.376 3.456 1.00 0.00 C ATOM 233 O VAL A 14 -2.340 4.860 2.469 1.00 0.00 O ATOM 234 CB VAL A 14 -3.035 3.986 5.651 1.00 0.00 C ATOM 235 CG1 VAL A 14 -3.889 5.242 5.455 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.900 2.969 6.408 1.00 0.00 C ATOM 0 H VAL A 14 -1.499 2.068 5.593 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.421 3.074 3.759 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.137 4.259 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.203 5.624 6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.304 6.003 4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.769 4.995 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.247 3.411 7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.759 2.694 5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.309 2.079 6.625 1.00 0.00 H new ATOM 246 N LEU A 15 -0.511 4.671 3.773 1.00 0.00 N ATOM 247 CA LEU A 15 0.348 5.563 2.978 1.00 0.00 C ATOM 248 C LEU A 15 0.411 5.125 1.506 1.00 0.00 C ATOM 249 O LEU A 15 0.243 5.947 0.610 1.00 0.00 O ATOM 250 CB LEU A 15 1.786 5.627 3.528 1.00 0.00 C ATOM 251 CG LEU A 15 2.025 6.304 4.884 1.00 0.00 C ATOM 252 CD1 LEU A 15 3.515 6.217 5.220 1.00 0.00 C ATOM 253 CD2 LEU A 15 1.649 7.775 4.845 1.00 0.00 C ATOM 0 H LEU A 15 -0.046 4.293 4.598 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.106 6.551 3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.159 4.605 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.400 6.141 2.789 1.00 0.00 H new ATOM 0 HG LEU A 15 1.410 5.797 5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.700 6.695 6.182 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.816 5.171 5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.093 6.724 4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.831 8.223 5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.252 8.285 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.594 7.874 4.591 1.00 0.00 H new ATOM 265 N LEU A 16 0.672 3.842 1.248 1.00 0.00 N ATOM 266 CA LEU A 16 0.785 3.258 -0.088 1.00 0.00 C ATOM 267 C LEU A 16 -0.523 3.352 -0.891 1.00 0.00 C ATOM 268 O LEU A 16 -0.506 3.738 -2.061 1.00 0.00 O ATOM 269 CB LEU A 16 1.280 1.816 0.056 1.00 0.00 C ATOM 270 CG LEU A 16 1.622 1.159 -1.287 1.00 0.00 C ATOM 271 CD1 LEU A 16 2.763 1.885 -1.999 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.075 -0.265 -1.014 1.00 0.00 C ATOM 0 H LEU A 16 0.815 3.158 1.991 1.00 0.00 H new ATOM 0 HA LEU A 16 1.507 3.833 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.163 1.804 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.515 1.224 0.559 1.00 0.00 H new ATOM 0 HG LEU A 16 0.737 1.196 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.975 1.389 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.475 2.919 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.654 1.865 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.324 -0.754 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.954 -0.250 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.273 -0.814 -0.521 1.00 0.00 H new ATOM 284 N LEU A 17 -1.661 3.029 -0.270 1.00 0.00 N ATOM 285 CA LEU A 17 -2.983 3.195 -0.889 1.00 0.00 C ATOM 286 C LEU A 17 -3.208 4.666 -1.281 1.00 0.00 C ATOM 287 O LEU A 17 -3.600 4.944 -2.419 1.00 0.00 O ATOM 288 CB LEU A 17 -4.097 2.662 0.028 1.00 0.00 C ATOM 289 CG LEU A 17 -4.453 1.179 -0.196 1.00 0.00 C ATOM 290 CD1 LEU A 17 -3.361 0.167 0.128 1.00 0.00 C ATOM 291 CD2 LEU A 17 -5.654 0.844 0.682 1.00 0.00 C ATOM 0 H LEU A 17 -1.694 2.646 0.675 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.018 2.601 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.792 2.797 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.993 3.264 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.637 1.089 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.728 -0.840 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.487 0.363 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.085 0.253 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.927 -0.202 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.399 1.016 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.496 1.479 0.405 1.00 0.00 H new ATOM 303 N HIS A 18 -2.926 5.608 -0.371 1.00 0.00 N ATOM 304 CA HIS A 18 -2.981 7.044 -0.662 1.00 0.00 C ATOM 305 C HIS A 18 -2.044 7.388 -1.836 1.00 0.00 C ATOM 306 O HIS A 18 -2.491 8.054 -2.761 1.00 0.00 O ATOM 307 CB HIS A 18 -2.685 7.890 0.591 1.00 0.00 C ATOM 308 CG HIS A 18 -2.558 9.376 0.308 1.00 0.00 C ATOM 309 ND1 HIS A 18 -1.487 9.976 -0.297 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 -3.472 10.370 0.584 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 -1.739 11.351 -0.415 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 -2.953 11.537 0.142 1.00 0.00 N flip ATOM 0 H HIS A 18 -2.653 5.394 0.588 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.997 7.295 -0.965 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.481 7.735 1.320 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.761 7.536 1.048 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.430 10.240 1.066 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.098 12.100 -0.857 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.419 12.441 0.220 1.00 0.00 H new ATOM 320 N ALA A 19 -0.779 6.945 -1.829 1.00 0.00 N ATOM 321 CA ALA A 19 0.235 7.209 -2.860 1.00 0.00 C ATOM 322 C ALA A 19 -0.284 7.040 -4.299 1.00 0.00 C ATOM 323 O ALA A 19 -0.134 7.943 -5.124 1.00 0.00 O ATOM 324 CB ALA A 19 1.485 6.361 -2.593 1.00 0.00 C ATOM 0 H ALA A 19 -0.418 6.367 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 19 0.501 8.264 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.232 6.562 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.894 6.613 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.219 5.304 -2.613 1.00 0.00 H new ATOM 330 N HIS A 20 -0.926 5.905 -4.614 1.00 0.00 N ATOM 331 CA HIS A 20 -1.529 5.701 -5.941 1.00 0.00 C ATOM 332 C HIS A 20 -2.647 6.717 -6.209 1.00 0.00 C ATOM 333 O HIS A 20 -2.635 7.352 -7.263 1.00 0.00 O ATOM 334 CB HIS A 20 -1.972 4.250 -6.134 1.00 0.00 C ATOM 335 CG HIS A 20 -2.724 4.021 -7.423 1.00 0.00 C ATOM 336 ND1 HIS A 20 -4.078 3.754 -7.547 1.00 0.00 N ATOM 337 CD2 HIS A 20 -2.185 4.094 -8.678 1.00 0.00 C ATOM 338 CE1 HIS A 20 -4.353 3.666 -8.866 1.00 0.00 C ATOM 339 NE2 HIS A 20 -3.219 3.867 -9.571 1.00 0.00 N ATOM 0 H HIS A 20 -1.041 5.119 -3.974 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.765 5.887 -6.695 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.094 3.604 -6.114 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.604 3.956 -5.296 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.152 4.291 -8.925 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.326 3.466 -9.290 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.138 3.854 -10.588 1.00 0.00 H new ATOM 348 N LYS A 21 -3.590 6.917 -5.271 1.00 0.00 N ATOM 349 CA LYS A 21 -4.644 7.951 -5.405 1.00 0.00 C ATOM 350 C LYS A 21 -4.059 9.354 -5.631 1.00 0.00 C ATOM 351 O LYS A 21 -4.569 10.082 -6.475 1.00 0.00 O ATOM 352 CB LYS A 21 -5.617 7.972 -4.211 1.00 0.00 C ATOM 353 CG LYS A 21 -6.900 7.168 -4.478 1.00 0.00 C ATOM 354 CD LYS A 21 -6.829 5.697 -4.035 1.00 0.00 C ATOM 355 CE LYS A 21 -6.790 5.517 -2.508 1.00 0.00 C ATOM 356 NZ LYS A 21 -7.966 6.134 -1.837 1.00 0.00 N ATOM 0 H LYS A 21 -3.648 6.377 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.212 7.668 -6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.116 7.567 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.881 9.004 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.731 7.651 -3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.122 7.204 -5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.692 5.164 -4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.941 5.237 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.755 4.454 -2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.876 5.961 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.105 5.693 -0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.801 7.154 -1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.815 5.988 -2.420 1.00 0.00 H new ATOM 370 N CYS A 22 -3.006 9.724 -4.909 1.00 0.00 N ATOM 371 CA CYS A 22 -2.269 10.982 -5.000 1.00 0.00 C ATOM 372 C CYS A 22 -1.807 11.216 -6.457 1.00 0.00 C ATOM 373 O CYS A 22 -2.161 12.224 -7.080 1.00 0.00 O ATOM 374 CB CYS A 22 -1.138 10.898 -3.959 1.00 0.00 C ATOM 375 SG CYS A 22 -0.382 12.500 -3.578 1.00 0.00 S ATOM 0 H CYS A 22 -2.617 9.110 -4.194 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.875 11.858 -4.767 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.533 10.464 -3.040 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.367 10.220 -4.326 1.00 0.00 H new ATOM 0 HG CYS A 22 -1.030 13.065 -2.603 1.00 0.00 H new ATOM 627 N HIS A 39 5.744 11.363 3.965 1.00 0.00 N ATOM 628 CA HIS A 39 6.212 10.085 3.404 1.00 0.00 C ATOM 629 C HIS A 39 5.436 9.559 2.190 1.00 0.00 C ATOM 630 O HIS A 39 5.825 8.530 1.636 1.00 0.00 O ATOM 631 CB HIS A 39 6.431 9.056 4.521 1.00 0.00 C ATOM 632 CG HIS A 39 7.653 9.428 5.324 1.00 0.00 C ATOM 633 ND1 HIS A 39 8.937 9.514 4.811 1.00 0.00 N ATOM 634 CD2 HIS A 39 7.680 9.852 6.624 1.00 0.00 C ATOM 635 CE1 HIS A 39 9.733 9.996 5.787 1.00 0.00 C ATOM 636 NE2 HIS A 39 8.992 10.204 6.898 1.00 0.00 N ATOM 0 HA HIS A 39 7.182 10.292 2.952 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.556 9.018 5.170 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.554 8.061 4.093 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.843 9.903 7.304 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.792 10.185 5.696 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.340 10.560 7.788 1.00 0.00 H new ATOM 645 N CYS A 40 4.407 10.268 1.716 1.00 0.00 N ATOM 646 CA CYS A 40 3.747 9.938 0.452 1.00 0.00 C ATOM 647 C CYS A 40 4.792 9.980 -0.685 1.00 0.00 C ATOM 648 O CYS A 40 4.861 9.065 -1.502 1.00 0.00 O ATOM 649 CB CYS A 40 2.584 10.902 0.226 1.00 0.00 C ATOM 650 SG CYS A 40 1.615 10.391 -1.216 1.00 0.00 S ATOM 0 H CYS A 40 4.012 11.079 2.193 1.00 0.00 H new ATOM 0 HA CYS A 40 3.330 8.931 0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.947 10.928 1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.964 11.913 0.078 1.00 0.00 H new ATOM 0 HG CYS A 40 0.424 10.036 -0.835 1.00 0.00 H new ATOM 655 N ARG A 41 5.690 10.986 -0.685 1.00 0.00 N ATOM 656 CA ARG A 41 6.848 11.093 -1.599 1.00 0.00 C ATOM 657 C ARG A 41 7.650 9.786 -1.616 1.00 0.00 C ATOM 658 O ARG A 41 7.929 9.251 -2.691 1.00 0.00 O ATOM 659 CB ARG A 41 7.713 12.307 -1.210 1.00 0.00 C ATOM 660 CG ARG A 41 8.872 12.532 -2.196 1.00 0.00 C ATOM 661 CD ARG A 41 9.695 13.769 -1.814 1.00 0.00 C ATOM 662 NE ARG A 41 10.790 14.008 -2.777 1.00 0.00 N ATOM 663 CZ ARG A 41 12.003 13.480 -2.783 1.00 0.00 C ATOM 664 NH1 ARG A 41 12.405 12.632 -1.877 1.00 0.00 N ATOM 665 NH2 ARG A 41 12.852 13.797 -3.719 1.00 0.00 N ATOM 0 H ARG A 41 5.629 11.768 -0.032 1.00 0.00 H new ATOM 0 HA ARG A 41 6.491 11.255 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.089 13.200 -1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.114 12.159 -0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.517 11.653 -2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.476 12.653 -3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.045 14.643 -1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.110 13.637 -0.815 1.00 0.00 H new ATOM 0 HE ARG A 41 10.585 14.662 -3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.775 12.352 -1.126 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.349 12.249 -1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.582 14.454 -4.451 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.786 13.388 -3.720 1.00 0.00 H new ATOM 679 N THR A 42 7.988 9.261 -0.434 1.00 0.00 N ATOM 680 CA THR A 42 8.679 7.974 -0.238 1.00 0.00 C ATOM 681 C THR A 42 7.889 6.852 -0.922 1.00 0.00 C ATOM 682 O THR A 42 8.417 6.178 -1.805 1.00 0.00 O ATOM 683 CB THR A 42 8.887 7.651 1.259 1.00 0.00 C ATOM 684 OG1 THR A 42 9.334 8.788 1.979 1.00 0.00 O ATOM 685 CG2 THR A 42 9.918 6.544 1.481 1.00 0.00 C ATOM 0 H THR A 42 7.783 9.734 0.446 1.00 0.00 H new ATOM 0 HA THR A 42 9.667 8.053 -0.691 1.00 0.00 H new ATOM 0 HB THR A 42 7.912 7.324 1.619 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.016 8.735 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.026 6.356 2.549 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.586 5.632 0.984 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.878 6.853 1.068 1.00 0.00 H new ATOM 693 N MET A 43 6.615 6.666 -0.555 1.00 0.00 N ATOM 694 CA MET A 43 5.736 5.647 -1.142 1.00 0.00 C ATOM 695 C MET A 43 5.571 5.776 -2.664 1.00 0.00 C ATOM 696 O MET A 43 5.633 4.760 -3.340 1.00 0.00 O ATOM 697 CB MET A 43 4.373 5.589 -0.453 1.00 0.00 C ATOM 698 CG MET A 43 4.418 5.129 1.008 1.00 0.00 C ATOM 699 SD MET A 43 5.174 3.512 1.369 1.00 0.00 S ATOM 700 CE MET A 43 6.906 3.984 1.650 1.00 0.00 C ATOM 0 H MET A 43 6.160 7.226 0.166 1.00 0.00 H new ATOM 0 HA MET A 43 6.248 4.701 -0.963 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.916 6.578 -0.495 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.725 4.915 -1.013 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.956 5.885 1.580 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.395 5.112 1.385 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.371 3.271 2.331 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.442 3.982 0.701 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.945 4.982 2.087 1.00 0.00 H new ATOM 710 N LYS A 44 5.380 6.973 -3.233 1.00 0.00 N ATOM 711 CA LYS A 44 5.251 7.218 -4.685 1.00 0.00 C ATOM 712 C LYS A 44 6.496 6.764 -5.458 1.00 0.00 C ATOM 713 O LYS A 44 6.370 6.085 -6.477 1.00 0.00 O ATOM 714 CB LYS A 44 4.893 8.693 -4.959 1.00 0.00 C ATOM 715 CG LYS A 44 3.415 8.955 -4.622 1.00 0.00 C ATOM 716 CD LYS A 44 2.934 10.386 -4.929 1.00 0.00 C ATOM 717 CE LYS A 44 3.571 11.475 -4.043 1.00 0.00 C ATOM 718 NZ LYS A 44 2.563 12.243 -3.273 1.00 0.00 N ATOM 0 H LYS A 44 5.308 7.829 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 44 4.428 6.607 -5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.530 9.346 -4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.082 8.932 -6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.798 8.250 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.255 8.751 -3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.149 10.612 -5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.851 10.426 -4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.275 11.011 -3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.144 12.159 -4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.951 13.177 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.705 12.364 -3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.325 11.728 -2.402 1.00 0.00 H new ATOM 732 N ASN A 45 7.694 7.089 -4.962 1.00 0.00 N ATOM 733 CA ASN A 45 8.967 6.629 -5.539 1.00 0.00 C ATOM 734 C ASN A 45 9.053 5.089 -5.497 1.00 0.00 C ATOM 735 O ASN A 45 9.332 4.444 -6.510 1.00 0.00 O ATOM 736 CB ASN A 45 10.149 7.285 -4.801 1.00 0.00 C ATOM 737 CG ASN A 45 10.446 8.681 -5.323 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.245 8.871 -6.229 1.00 0.00 O ATOM 739 ND2 ASN A 45 9.817 9.700 -4.785 1.00 0.00 N ATOM 0 H ASN A 45 7.811 7.684 -4.142 1.00 0.00 H new ATOM 0 HA ASN A 45 9.016 6.931 -6.585 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.926 7.337 -3.735 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.036 6.661 -4.911 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.996 10.646 -5.123 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.150 9.546 -4.029 1.00 0.00 H new ATOM 746 N VAL A 46 8.782 4.504 -4.327 1.00 0.00 N ATOM 747 CA VAL A 46 8.745 3.053 -4.067 1.00 0.00 C ATOM 748 C VAL A 46 7.754 2.344 -5.005 1.00 0.00 C ATOM 749 O VAL A 46 8.123 1.372 -5.659 1.00 0.00 O ATOM 750 CB VAL A 46 8.443 2.820 -2.575 1.00 0.00 C ATOM 751 CG1 VAL A 46 8.058 1.383 -2.228 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.676 3.201 -1.745 1.00 0.00 C ATOM 0 H VAL A 46 8.572 5.051 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 46 9.717 2.610 -4.285 1.00 0.00 H new ATOM 0 HB VAL A 46 7.580 3.444 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.862 1.307 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.162 1.103 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.875 0.713 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.467 3.038 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.523 2.585 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.915 4.252 -1.910 1.00 0.00 H new ATOM 762 N LEU A 47 6.520 2.850 -5.107 1.00 0.00 N ATOM 763 CA LEU A 47 5.428 2.408 -5.980 1.00 0.00 C ATOM 764 C LEU A 47 5.909 2.320 -7.433 1.00 0.00 C ATOM 765 O LEU A 47 5.866 1.241 -8.025 1.00 0.00 O ATOM 766 CB LEU A 47 4.224 3.352 -5.769 1.00 0.00 C ATOM 767 CG LEU A 47 2.920 3.030 -6.514 1.00 0.00 C ATOM 768 CD1 LEU A 47 2.980 3.265 -8.015 1.00 0.00 C ATOM 769 CD2 LEU A 47 2.485 1.590 -6.290 1.00 0.00 C ATOM 0 H LEU A 47 6.237 3.645 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 47 5.099 1.400 -5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.002 3.378 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.533 4.357 -6.055 1.00 0.00 H new ATOM 0 HG LEU A 47 2.199 3.728 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.018 3.013 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.207 4.313 -8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.758 2.638 -8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.559 1.401 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.261 0.915 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.322 1.420 -5.226 1.00 0.00 H new ATOM 781 N ASN A 48 6.398 3.437 -7.988 1.00 0.00 N ATOM 782 CA ASN A 48 6.948 3.516 -9.344 1.00 0.00 C ATOM 783 C ASN A 48 8.000 2.424 -9.591 1.00 0.00 C ATOM 784 O ASN A 48 7.958 1.723 -10.605 1.00 0.00 O ATOM 785 CB ASN A 48 7.552 4.912 -9.558 1.00 0.00 C ATOM 786 CG ASN A 48 8.173 5.038 -10.942 1.00 0.00 C ATOM 787 OD1 ASN A 48 7.506 4.959 -11.964 1.00 0.00 O ATOM 788 ND2 ASN A 48 9.474 5.211 -11.026 1.00 0.00 N ATOM 0 H ASN A 48 6.422 4.329 -7.494 1.00 0.00 H new ATOM 0 HA ASN A 48 6.143 3.351 -10.060 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.778 5.669 -9.434 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.310 5.104 -8.798 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.922 5.279 -11.940 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.035 5.278 -10.177 1.00 0.00 H new ATOM 795 N HIS A 49 8.952 2.279 -8.668 1.00 0.00 N ATOM 796 CA HIS A 49 9.986 1.257 -8.748 1.00 0.00 C ATOM 797 C HIS A 49 9.379 -0.164 -8.738 1.00 0.00 C ATOM 798 O HIS A 49 9.656 -0.924 -9.666 1.00 0.00 O ATOM 799 CB HIS A 49 11.039 1.490 -7.660 1.00 0.00 C ATOM 800 CG HIS A 49 12.107 0.425 -7.681 1.00 0.00 C ATOM 801 ND1 HIS A 49 13.167 0.345 -8.564 1.00 0.00 N ATOM 802 CD2 HIS A 49 12.072 -0.747 -6.974 1.00 0.00 C ATOM 803 CE1 HIS A 49 13.738 -0.867 -8.406 1.00 0.00 C ATOM 804 NE2 HIS A 49 13.113 -1.561 -7.439 1.00 0.00 N ATOM 0 H HIS A 49 9.024 2.872 -7.841 1.00 0.00 H new ATOM 0 HA HIS A 49 10.501 1.338 -9.705 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.498 2.469 -7.801 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.556 1.502 -6.683 1.00 0.00 H new ATOM 0 HD1 HIS A 49 13.464 1.071 -9.217 1.00 0.00 H new ATOM 0 HD2 HIS A 49 11.367 -0.999 -6.196 1.00 0.00 H new ATOM 0 HE1 HIS A 49 14.580 -1.229 -8.977 1.00 0.00 H new ATOM 812 N MET A 50 8.544 -0.536 -7.752 1.00 0.00 N ATOM 813 CA MET A 50 7.929 -1.875 -7.672 1.00 0.00 C ATOM 814 C MET A 50 7.116 -2.304 -8.903 1.00 0.00 C ATOM 815 O MET A 50 7.061 -3.498 -9.195 1.00 0.00 O ATOM 816 CB MET A 50 7.158 -2.143 -6.370 1.00 0.00 C ATOM 817 CG MET A 50 5.934 -1.309 -6.037 1.00 0.00 C ATOM 818 SD MET A 50 5.004 -2.158 -4.731 1.00 0.00 S ATOM 819 CE MET A 50 3.578 -1.078 -4.584 1.00 0.00 C ATOM 0 H MET A 50 8.276 0.083 -6.987 1.00 0.00 H new ATOM 0 HA MET A 50 8.806 -2.523 -7.660 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.847 -3.187 -6.385 1.00 0.00 H new ATOM 0 HB3 MET A 50 7.862 -2.032 -5.545 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.231 -0.314 -5.706 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.312 -1.178 -6.922 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.915 -1.455 -3.805 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.908 -0.072 -4.324 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.043 -1.050 -5.533 1.00 0.00 H new ATOM 829 N THR A 51 6.502 -1.379 -9.653 1.00 0.00 N ATOM 830 CA THR A 51 5.817 -1.732 -10.914 1.00 0.00 C ATOM 831 C THR A 51 6.795 -2.238 -11.981 1.00 0.00 C ATOM 832 O THR A 51 6.480 -3.179 -12.714 1.00 0.00 O ATOM 833 CB THR A 51 4.974 -0.593 -11.516 1.00 0.00 C ATOM 834 OG1 THR A 51 5.328 0.698 -11.062 1.00 0.00 O ATOM 835 CG2 THR A 51 3.509 -0.794 -11.155 1.00 0.00 C ATOM 0 H THR A 51 6.463 -0.388 -9.415 1.00 0.00 H new ATOM 0 HA THR A 51 5.134 -2.532 -10.626 1.00 0.00 H new ATOM 0 HB THR A 51 5.160 -0.640 -12.589 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.304 0.776 -11.028 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.915 0.014 -11.582 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.164 -1.748 -11.553 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.398 -0.792 -10.071 1.00 0.00 H new ATOM 843 N HIS A 52 7.982 -1.626 -12.073 1.00 0.00 N ATOM 844 CA HIS A 52 9.057 -1.995 -13.007 1.00 0.00 C ATOM 845 C HIS A 52 9.826 -3.234 -12.518 1.00 0.00 C ATOM 846 O HIS A 52 9.965 -4.206 -13.265 1.00 0.00 O ATOM 847 CB HIS A 52 9.986 -0.789 -13.227 1.00 0.00 C ATOM 848 CG HIS A 52 9.291 0.369 -13.905 1.00 0.00 C ATOM 849 ND1 HIS A 52 8.723 1.462 -13.276 1.00 0.00 N ATOM 850 CD2 HIS A 52 9.083 0.499 -15.250 1.00 0.00 C ATOM 851 CE1 HIS A 52 8.183 2.251 -14.227 1.00 0.00 C ATOM 852 NE2 HIS A 52 8.393 1.687 -15.436 1.00 0.00 N ATOM 0 H HIS A 52 8.230 -0.834 -11.480 1.00 0.00 H new ATOM 0 HA HIS A 52 8.615 -2.267 -13.966 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.379 -0.459 -12.265 1.00 0.00 H new ATOM 0 HB3 HIS A 52 10.839 -1.099 -13.831 1.00 0.00 H new ATOM 0 HD1 HIS A 52 8.714 1.640 -12.272 1.00 0.00 H new ATOM 0 HD2 HIS A 52 9.396 -0.191 -16.020 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.666 3.183 -14.050 1.00 0.00 H new ATOM 861 N CYS A 53 10.305 -3.205 -11.273 1.00 0.00 N ATOM 862 CA CYS A 53 11.027 -4.273 -10.582 1.00 0.00 C ATOM 863 C CYS A 53 10.189 -5.574 -10.537 1.00 0.00 C ATOM 864 O CYS A 53 8.991 -5.553 -10.243 1.00 0.00 O ATOM 865 CB CYS A 53 11.376 -3.730 -9.188 1.00 0.00 C ATOM 866 SG CYS A 53 12.264 -4.917 -8.125 1.00 0.00 S ATOM 0 H CYS A 53 10.191 -2.381 -10.683 1.00 0.00 H new ATOM 0 HA CYS A 53 11.941 -4.548 -11.107 1.00 0.00 H new ATOM 0 HB2 CYS A 53 11.986 -2.834 -9.302 1.00 0.00 H new ATOM 0 HB3 CYS A 53 10.456 -3.428 -8.687 1.00 0.00 H new ATOM 0 HG CYS A 53 12.045 -4.629 -6.876 1.00 0.00 H new ATOM 871 N GLN A 54 10.817 -6.716 -10.824 1.00 0.00 N ATOM 872 CA GLN A 54 10.180 -8.045 -10.819 1.00 0.00 C ATOM 873 C GLN A 54 10.743 -8.969 -9.722 1.00 0.00 C ATOM 874 O GLN A 54 10.303 -10.115 -9.592 1.00 0.00 O ATOM 875 CB GLN A 54 10.333 -8.704 -12.202 1.00 0.00 C ATOM 876 CG GLN A 54 9.785 -7.877 -13.379 1.00 0.00 C ATOM 877 CD GLN A 54 8.299 -7.539 -13.243 1.00 0.00 C ATOM 878 OE1 GLN A 54 7.439 -8.403 -13.117 1.00 0.00 O ATOM 879 NE2 GLN A 54 7.936 -6.276 -13.285 1.00 0.00 N ATOM 0 H GLN A 54 11.806 -6.749 -11.073 1.00 0.00 H new ATOM 0 HA GLN A 54 9.124 -7.897 -10.596 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.390 -8.903 -12.378 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.825 -9.668 -12.187 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.355 -6.951 -13.460 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.941 -8.429 -14.306 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.641 -5.546 -13.390 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.950 -6.026 -13.213 1.00 0.00 H new ATOM 888 N ALA A 55 11.715 -8.491 -8.938 1.00 0.00 N ATOM 889 CA ALA A 55 12.367 -9.241 -7.873 1.00 0.00 C ATOM 890 C ALA A 55 11.575 -9.166 -6.554 1.00 0.00 C ATOM 891 O ALA A 55 10.924 -10.140 -6.166 1.00 0.00 O ATOM 892 CB ALA A 55 13.815 -8.750 -7.731 1.00 0.00 C ATOM 0 H ALA A 55 12.077 -7.542 -9.034 1.00 0.00 H new ATOM 0 HA ALA A 55 12.390 -10.299 -8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.311 -9.306 -6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.346 -8.907 -8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.817 -7.688 -7.487 1.00 0.00 H new ATOM 898 N GLY A 56 11.640 -8.037 -5.839 1.00 0.00 N ATOM 899 CA GLY A 56 10.989 -7.826 -4.539 1.00 0.00 C ATOM 900 C GLY A 56 11.706 -8.564 -3.403 1.00 0.00 C ATOM 901 O GLY A 56 12.298 -7.939 -2.525 1.00 0.00 O ATOM 0 H GLY A 56 12.162 -7.221 -6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.963 -6.759 -4.317 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.955 -8.165 -4.594 1.00 0.00 H new ATOM 905 N LYS A 57 11.681 -9.903 -3.440 1.00 0.00 N ATOM 906 CA LYS A 57 12.336 -10.823 -2.488 1.00 0.00 C ATOM 907 C LYS A 57 13.848 -10.559 -2.397 1.00 0.00 C ATOM 908 O LYS A 57 14.402 -10.459 -1.301 1.00 0.00 O ATOM 909 CB LYS A 57 12.095 -12.292 -2.903 1.00 0.00 C ATOM 910 CG LYS A 57 10.630 -12.714 -3.110 1.00 0.00 C ATOM 911 CD LYS A 57 9.773 -12.776 -1.839 1.00 0.00 C ATOM 912 CE LYS A 57 10.123 -13.967 -0.941 1.00 0.00 C ATOM 913 NZ LYS A 57 9.062 -14.199 0.073 1.00 0.00 N ATOM 0 H LYS A 57 11.178 -10.405 -4.172 1.00 0.00 H new ATOM 0 HA LYS A 57 11.895 -10.644 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.638 -12.479 -3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.532 -12.938 -2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.165 -12.017 -3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.617 -13.695 -3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.901 -11.852 -1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.721 -12.835 -2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.250 -14.862 -1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.074 -13.783 -0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.272 -15.070 0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.028 -13.394 0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.142 -14.296 -0.403 1.00 0.00 H new ATOM 927 N ALA A 58 14.502 -10.487 -3.559 1.00 0.00 N ATOM 928 CA ALA A 58 15.946 -10.305 -3.730 1.00 0.00 C ATOM 929 C ALA A 58 16.405 -8.843 -3.944 1.00 0.00 C ATOM 930 O ALA A 58 17.609 -8.576 -3.870 1.00 0.00 O ATOM 931 CB ALA A 58 16.386 -11.193 -4.903 1.00 0.00 C ATOM 0 H ALA A 58 14.014 -10.558 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 58 16.425 -10.594 -2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.459 -11.083 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.157 -12.234 -4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.854 -10.893 -5.806 1.00 0.00 H new ATOM 937 N CYS A 59 15.488 -7.900 -4.205 1.00 0.00 N ATOM 938 CA CYS A 59 15.815 -6.488 -4.418 1.00 0.00 C ATOM 939 C CYS A 59 16.441 -5.876 -3.144 1.00 0.00 C ATOM 940 O CYS A 59 15.965 -6.087 -2.021 1.00 0.00 O ATOM 941 CB CYS A 59 14.562 -5.736 -4.906 1.00 0.00 C ATOM 942 SG CYS A 59 15.003 -4.175 -5.747 1.00 0.00 S ATOM 0 H CYS A 59 14.490 -8.101 -4.274 1.00 0.00 H new ATOM 0 HA CYS A 59 16.570 -6.393 -5.198 1.00 0.00 H new ATOM 0 HB2 CYS A 59 13.998 -6.371 -5.589 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.911 -5.522 -4.058 1.00 0.00 H new ATOM 0 HG CYS A 59 14.231 -4.005 -6.779 1.00 0.00 H new ATOM 947 N GLN A 60 17.549 -5.153 -3.321 1.00 0.00 N ATOM 948 CA GLN A 60 18.337 -4.532 -2.247 1.00 0.00 C ATOM 949 C GLN A 60 17.565 -3.461 -1.454 1.00 0.00 C ATOM 950 O GLN A 60 17.782 -3.307 -0.249 1.00 0.00 O ATOM 951 CB GLN A 60 19.635 -3.939 -2.819 1.00 0.00 C ATOM 952 CG GLN A 60 20.560 -5.012 -3.417 1.00 0.00 C ATOM 953 CD GLN A 60 21.890 -4.419 -3.878 1.00 0.00 C ATOM 954 OE1 GLN A 60 22.075 -4.053 -5.034 1.00 0.00 O ATOM 955 NE2 GLN A 60 22.868 -4.296 -3.004 1.00 0.00 N ATOM 0 H GLN A 60 17.938 -4.976 -4.247 1.00 0.00 H new ATOM 0 HA GLN A 60 18.570 -5.326 -1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.388 -3.207 -3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.165 -3.406 -2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.746 -5.788 -2.674 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.063 -5.491 -4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.730 -4.596 -2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.763 -3.901 -3.292 1.00 0.00 H new ATOM 964 N VAL A 61 16.677 -2.715 -2.118 1.00 0.00 N ATOM 965 CA VAL A 61 15.849 -1.654 -1.520 1.00 0.00 C ATOM 966 C VAL A 61 14.877 -2.250 -0.489 1.00 0.00 C ATOM 967 O VAL A 61 14.098 -3.154 -0.797 1.00 0.00 O ATOM 968 CB VAL A 61 15.090 -0.873 -2.615 1.00 0.00 C ATOM 969 CG1 VAL A 61 14.241 0.262 -2.022 1.00 0.00 C ATOM 970 CG2 VAL A 61 16.060 -0.235 -3.622 1.00 0.00 C ATOM 0 H VAL A 61 16.507 -2.833 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 61 16.503 -0.952 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 61 14.449 -1.602 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.723 0.787 -2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.509 -0.154 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.887 0.960 -1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.494 0.307 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.723 0.456 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.652 -1.015 -4.101 1.00 0.00 H new ATOM 980 N ALA A 62 14.915 -1.744 0.748 1.00 0.00 N ATOM 981 CA ALA A 62 14.076 -2.187 1.867 1.00 0.00 C ATOM 982 C ALA A 62 12.567 -2.116 1.545 1.00 0.00 C ATOM 983 O ALA A 62 11.863 -3.129 1.517 1.00 0.00 O ATOM 984 CB ALA A 62 14.460 -1.346 3.098 1.00 0.00 C ATOM 0 H ALA A 62 15.551 -0.990 1.007 1.00 0.00 H new ATOM 0 HA ALA A 62 14.260 -3.242 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.853 -1.651 3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.514 -1.500 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.285 -0.291 2.887 1.00 0.00 H new ATOM 990 N HIS A 63 12.078 -0.899 1.282 1.00 0.00 N ATOM 991 CA HIS A 63 10.675 -0.569 0.976 1.00 0.00 C ATOM 992 C HIS A 63 10.065 -1.361 -0.193 1.00 0.00 C ATOM 993 O HIS A 63 8.881 -1.685 -0.142 1.00 0.00 O ATOM 994 CB HIS A 63 10.551 0.942 0.730 1.00 0.00 C ATOM 995 CG HIS A 63 11.167 1.801 1.806 1.00 0.00 C ATOM 996 ND1 HIS A 63 12.211 2.697 1.635 1.00 0.00 N ATOM 997 CD2 HIS A 63 10.829 1.787 3.129 1.00 0.00 C ATOM 998 CE1 HIS A 63 12.513 3.204 2.850 1.00 0.00 C ATOM 999 NE2 HIS A 63 11.689 2.660 3.768 1.00 0.00 N ATOM 0 H HIS A 63 12.677 -0.074 1.276 1.00 0.00 H new ATOM 0 HA HIS A 63 10.094 -0.869 1.848 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.021 1.182 -0.223 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.495 1.197 0.638 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.042 1.206 3.587 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.289 3.928 3.053 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.699 2.860 4.768 1.00 0.00 H new ATOM 1008 N CYS A 64 10.850 -1.668 -1.229 1.00 0.00 N ATOM 1009 CA CYS A 64 10.473 -2.436 -2.424 1.00 0.00 C ATOM 1010 C CYS A 64 9.844 -3.800 -2.045 1.00 0.00 C ATOM 1011 O CYS A 64 8.776 -4.183 -2.537 1.00 0.00 O ATOM 1012 CB CYS A 64 11.761 -2.552 -3.263 1.00 0.00 C ATOM 1013 SG CYS A 64 11.534 -3.328 -4.885 1.00 0.00 S ATOM 0 H CYS A 64 11.825 -1.370 -1.260 1.00 0.00 H new ATOM 0 HA CYS A 64 9.694 -1.944 -3.007 1.00 0.00 H new ATOM 0 HB2 CYS A 64 12.177 -1.555 -3.406 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.496 -3.126 -2.699 1.00 0.00 H new ATOM 0 HG CYS A 64 12.692 -3.660 -5.373 1.00 0.00 H new ATOM 1018 N ALA A 65 10.479 -4.516 -1.111 1.00 0.00 N ATOM 1019 CA ALA A 65 9.984 -5.773 -0.559 1.00 0.00 C ATOM 1020 C ALA A 65 8.674 -5.560 0.233 1.00 0.00 C ATOM 1021 O ALA A 65 7.656 -6.201 -0.043 1.00 0.00 O ATOM 1022 CB ALA A 65 11.084 -6.379 0.320 1.00 0.00 C ATOM 0 H ALA A 65 11.372 -4.227 -0.711 1.00 0.00 H new ATOM 0 HA ALA A 65 9.745 -6.463 -1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.734 -7.321 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.973 -6.561 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.328 -5.687 1.126 1.00 0.00 H new ATOM 1028 N SER A 66 8.708 -4.661 1.224 1.00 0.00 N ATOM 1029 CA SER A 66 7.593 -4.311 2.118 1.00 0.00 C ATOM 1030 C SER A 66 6.321 -3.900 1.373 1.00 0.00 C ATOM 1031 O SER A 66 5.271 -4.502 1.588 1.00 0.00 O ATOM 1032 CB SER A 66 8.010 -3.191 3.076 1.00 0.00 C ATOM 1033 OG SER A 66 9.196 -3.548 3.759 1.00 0.00 O ATOM 0 H SER A 66 9.554 -4.131 1.436 1.00 0.00 H new ATOM 0 HA SER A 66 7.357 -5.217 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.166 -2.267 2.520 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.212 -3.000 3.794 1.00 0.00 H new ATOM 0 HG SER A 66 8.981 -4.171 4.484 1.00 0.00 H new ATOM 1039 N SER A 67 6.398 -2.891 0.502 1.00 0.00 N ATOM 1040 CA SER A 67 5.287 -2.357 -0.309 1.00 0.00 C ATOM 1041 C SER A 67 4.559 -3.430 -1.121 1.00 0.00 C ATOM 1042 O SER A 67 3.330 -3.416 -1.174 1.00 0.00 O ATOM 1043 CB SER A 67 5.756 -1.208 -1.207 1.00 0.00 C ATOM 1044 OG SER A 67 6.852 -1.600 -2.007 1.00 0.00 O ATOM 0 H SER A 67 7.274 -2.397 0.331 1.00 0.00 H new ATOM 0 HA SER A 67 4.558 -1.965 0.400 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.934 -0.883 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.039 -0.354 -0.592 1.00 0.00 H new ATOM 0 HG SER A 67 7.670 -1.590 -1.468 1.00 0.00 H new ATOM 1050 N ARG A 68 5.268 -4.407 -1.701 1.00 0.00 N ATOM 1051 CA ARG A 68 4.601 -5.552 -2.341 1.00 0.00 C ATOM 1052 C ARG A 68 3.833 -6.349 -1.289 1.00 0.00 C ATOM 1053 O ARG A 68 2.655 -6.632 -1.486 1.00 0.00 O ATOM 1054 CB ARG A 68 5.591 -6.457 -3.074 1.00 0.00 C ATOM 1055 CG ARG A 68 6.136 -5.813 -4.352 1.00 0.00 C ATOM 1056 CD ARG A 68 6.994 -6.862 -5.063 1.00 0.00 C ATOM 1057 NE ARG A 68 7.630 -6.354 -6.286 1.00 0.00 N ATOM 1058 CZ ARG A 68 8.714 -5.607 -6.328 1.00 0.00 C ATOM 1059 NH1 ARG A 68 9.209 -5.062 -5.266 1.00 0.00 N ATOM 1060 NH2 ARG A 68 9.339 -5.406 -7.437 1.00 0.00 N ATOM 0 H ARG A 68 6.287 -4.430 -1.741 1.00 0.00 H new ATOM 0 HA ARG A 68 3.908 -5.163 -3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.421 -6.697 -2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.102 -7.398 -3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.319 -5.485 -4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.729 -4.930 -4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.766 -7.215 -4.379 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.372 -7.722 -5.314 1.00 0.00 H new ATOM 0 HE ARG A 68 7.196 -6.600 -7.176 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.759 -5.205 -4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.050 -4.489 -5.332 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.996 -5.828 -8.300 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.177 -4.825 -7.452 1.00 0.00 H new ATOM 1074 N GLN A 69 4.481 -6.707 -0.179 1.00 0.00 N ATOM 1075 CA GLN A 69 3.925 -7.488 0.935 1.00 0.00 C ATOM 1076 C GLN A 69 2.598 -6.928 1.471 1.00 0.00 C ATOM 1077 O GLN A 69 1.613 -7.664 1.516 1.00 0.00 O ATOM 1078 CB GLN A 69 4.973 -7.621 2.056 1.00 0.00 C ATOM 1079 CG GLN A 69 4.924 -8.973 2.782 1.00 0.00 C ATOM 1080 CD GLN A 69 3.655 -9.277 3.581 1.00 0.00 C ATOM 1081 OE1 GLN A 69 3.153 -10.389 3.558 1.00 0.00 O ATOM 1082 NE2 GLN A 69 3.094 -8.351 4.329 1.00 0.00 N ATOM 0 H GLN A 69 5.455 -6.449 -0.022 1.00 0.00 H new ATOM 0 HA GLN A 69 3.686 -8.478 0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.967 -7.481 1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.821 -6.822 2.782 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.058 -9.762 2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.775 -9.026 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.494 -7.413 4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.259 -8.571 4.872 1.00 0.00 H new ATOM 1091 N ILE A 70 2.548 -5.646 1.860 1.00 0.00 N ATOM 1092 CA ILE A 70 1.314 -5.001 2.350 1.00 0.00 C ATOM 1093 C ILE A 70 0.130 -5.177 1.384 1.00 0.00 C ATOM 1094 O ILE A 70 -0.967 -5.543 1.815 1.00 0.00 O ATOM 1095 CB ILE A 70 1.498 -3.523 2.792 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.585 -2.713 2.073 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.708 -3.469 4.309 1.00 0.00 C ATOM 1098 CD1 ILE A 70 2.526 -1.199 2.310 1.00 0.00 C ATOM 0 H ILE A 70 3.358 -5.026 1.845 1.00 0.00 H new ATOM 0 HA ILE A 70 1.064 -5.542 3.263 1.00 0.00 H new ATOM 0 HB ILE A 70 0.574 -3.030 2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.561 -3.078 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.509 -2.902 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.837 -2.433 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.839 -3.894 4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.597 -4.042 4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.333 -0.713 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.568 -0.813 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.635 -0.993 3.375 1.00 0.00 H new ATOM 1110 N ILE A 71 0.350 -4.958 0.084 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.677 -5.143 -0.955 1.00 0.00 C ATOM 1112 C ILE A 71 -1.000 -6.623 -1.168 1.00 0.00 C ATOM 1113 O ILE A 71 -2.169 -6.970 -1.318 1.00 0.00 O ATOM 1114 CB ILE A 71 -0.281 -4.420 -2.257 1.00 0.00 C ATOM 1115 CG1 ILE A 71 -0.009 -2.926 -1.983 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -1.357 -4.557 -3.350 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -1.066 -2.200 -1.132 1.00 0.00 C ATOM 0 H ILE A 71 1.249 -4.646 -0.283 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.601 -4.680 -0.609 1.00 0.00 H new ATOM 0 HB ILE A 71 0.628 -4.898 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.956 -2.837 -1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.078 -2.410 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.033 -4.031 -4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.508 -5.611 -3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.293 -4.126 -2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.775 -1.158 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.032 -2.247 -1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.140 -2.680 -0.156 1.00 0.00 H new ATOM 1129 N SER A 72 0.003 -7.503 -1.136 1.00 0.00 N ATOM 1130 CA SER A 72 -0.153 -8.963 -1.235 1.00 0.00 C ATOM 1131 C SER A 72 -1.137 -9.458 -0.175 1.00 0.00 C ATOM 1132 O SER A 72 -2.107 -10.143 -0.506 1.00 0.00 O ATOM 1133 CB SER A 72 1.181 -9.700 -1.079 1.00 0.00 C ATOM 1134 OG SER A 72 2.151 -9.202 -1.975 1.00 0.00 O ATOM 0 H SER A 72 0.977 -7.215 -1.038 1.00 0.00 H new ATOM 0 HA SER A 72 -0.538 -9.179 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.540 -9.593 -0.055 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.033 -10.765 -1.256 1.00 0.00 H new ATOM 0 HG SER A 72 2.485 -8.340 -1.650 1.00 0.00 H new ATOM 1140 N HIS A 73 -0.918 -9.075 1.089 1.00 0.00 N ATOM 1141 CA HIS A 73 -1.822 -9.382 2.195 1.00 0.00 C ATOM 1142 C HIS A 73 -3.213 -8.805 1.905 1.00 0.00 C ATOM 1143 O HIS A 73 -4.163 -9.577 1.823 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.261 -8.882 3.536 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.112 -9.268 4.734 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -1.730 -10.131 5.735 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.392 -8.861 5.028 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -2.754 -10.250 6.601 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -3.800 -9.498 6.213 1.00 0.00 N ATOM 0 H HIS A 73 -0.098 -8.538 1.371 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.913 -10.465 2.283 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.256 -9.281 3.671 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.170 -7.796 3.500 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.827 -10.600 5.808 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.984 -8.169 4.447 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.738 -10.866 7.488 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.702 -9.409 6.681 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.346 -7.480 1.737 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.637 -6.820 1.500 1.00 0.00 C ATOM 1159 C TRP A 74 -5.473 -7.426 0.356 1.00 0.00 C ATOM 1160 O TRP A 74 -6.678 -7.636 0.508 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.457 -5.306 1.315 1.00 0.00 C ATOM 1162 CG TRP A 74 -5.758 -4.567 1.390 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -6.636 -4.701 2.408 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.395 -3.663 0.433 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -7.787 -3.997 2.134 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.697 -3.345 0.930 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -6.027 -3.081 -0.802 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.591 -2.526 0.234 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -6.911 -2.228 -1.493 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -8.196 -1.962 -0.984 1.00 0.00 C ATOM 0 H TRP A 74 -2.557 -6.834 1.762 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.220 -7.004 2.402 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.781 -4.926 2.081 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.987 -5.113 0.351 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.461 -5.276 3.305 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.602 -3.964 2.747 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.055 -3.293 -1.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.576 -2.331 0.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.599 -1.774 -2.422 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.875 -1.325 -1.532 1.00 0.00 H new ATOM 1181 N LYS A 75 -4.851 -7.719 -0.794 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.484 -8.336 -1.973 1.00 0.00 C ATOM 1183 C LYS A 75 -6.075 -9.717 -1.645 1.00 0.00 C ATOM 1184 O LYS A 75 -7.201 -10.015 -2.047 1.00 0.00 O ATOM 1185 CB LYS A 75 -4.454 -8.390 -3.118 1.00 0.00 C ATOM 1186 CG LYS A 75 -4.947 -8.961 -4.461 1.00 0.00 C ATOM 1187 CD LYS A 75 -5.986 -8.108 -5.214 1.00 0.00 C ATOM 1188 CE LYS A 75 -7.430 -8.416 -4.791 1.00 0.00 C ATOM 1189 NZ LYS A 75 -8.426 -7.748 -5.670 1.00 0.00 N ATOM 0 H LYS A 75 -3.859 -7.527 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.329 -7.727 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.085 -7.379 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.605 -8.987 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.084 -9.105 -5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.377 -9.946 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.778 -7.052 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.882 -8.279 -6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.592 -9.494 -4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.582 -8.093 -3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.340 -8.238 -5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.539 -6.757 -5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.096 -7.781 -6.656 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.324 -10.558 -0.927 1.00 0.00 N ATOM 1204 CA ASN A 76 -5.733 -11.904 -0.505 1.00 0.00 C ATOM 1205 C ASN A 76 -6.770 -11.893 0.638 1.00 0.00 C ATOM 1206 O ASN A 76 -7.778 -12.601 0.565 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.489 -12.720 -0.115 1.00 0.00 C ATOM 1208 CG ASN A 76 -3.757 -13.251 -1.337 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -3.998 -14.357 -1.797 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -2.842 -12.497 -1.895 1.00 0.00 N ATOM 0 H ASN A 76 -4.385 -10.314 -0.613 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.231 -12.375 -1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.814 -12.096 0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.786 -13.553 0.522 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.332 -12.834 -2.712 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.639 -11.573 -1.512 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.506 -11.133 1.702 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.319 -11.023 2.908 1.00 0.00 C ATOM 1219 C CYS A 77 -8.746 -10.504 2.628 1.00 0.00 C ATOM 1220 O CYS A 77 -8.967 -9.454 2.015 1.00 0.00 O ATOM 1221 CB CYS A 77 -6.560 -10.145 3.916 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.256 -10.263 5.595 1.00 0.00 S ATOM 0 H CYS A 77 -5.673 -10.547 1.745 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.471 -12.017 3.329 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.512 -10.443 3.938 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.589 -9.107 3.585 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.932 -9.203 6.274 1.00 0.00 H new ATOM 1227 N THR A 78 -9.728 -11.280 3.089 1.00 0.00 N ATOM 1228 CA THR A 78 -11.175 -11.007 3.007 1.00 0.00 C ATOM 1229 C THR A 78 -11.858 -11.315 4.357 1.00 0.00 C ATOM 1230 O THR A 78 -13.058 -11.590 4.453 1.00 0.00 O ATOM 1231 CB THR A 78 -11.763 -11.740 1.785 1.00 0.00 C ATOM 1232 OG1 THR A 78 -13.051 -11.251 1.467 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.826 -13.263 1.928 1.00 0.00 C ATOM 0 H THR A 78 -9.531 -12.165 3.556 1.00 0.00 H new ATOM 0 HA THR A 78 -11.369 -9.948 2.838 1.00 0.00 H new ATOM 0 HB THR A 78 -11.064 -11.528 0.976 1.00 0.00 H new ATOM 0 HG1 THR A 78 -13.584 -11.176 2.286 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.252 -13.696 1.023 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.821 -13.656 2.080 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.450 -13.523 2.783 1.00 0.00 H new ATOM 1241 N ARG A 79 -11.067 -11.256 5.439 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.438 -11.509 6.838 1.00 0.00 C ATOM 1243 C ARG A 79 -12.497 -10.517 7.329 1.00 0.00 C ATOM 1244 O ARG A 79 -12.453 -9.328 7.007 1.00 0.00 O ATOM 1245 CB ARG A 79 -10.158 -11.386 7.680 1.00 0.00 C ATOM 1246 CG ARG A 79 -10.190 -12.052 9.066 1.00 0.00 C ATOM 1247 CD ARG A 79 -9.071 -11.551 10.005 1.00 0.00 C ATOM 1248 NE ARG A 79 -7.795 -11.272 9.320 1.00 0.00 N ATOM 1249 CZ ARG A 79 -6.916 -12.114 8.824 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -7.022 -13.405 8.975 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -5.913 -11.642 8.158 1.00 0.00 N ATOM 0 H ARG A 79 -10.080 -11.013 5.352 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.874 -12.504 6.931 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.332 -11.815 7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.936 -10.327 7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.158 -11.863 9.531 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.099 -13.132 8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.409 -10.644 10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.900 -12.298 10.781 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.561 -10.285 9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.809 -13.795 9.494 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.318 -14.025 8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.816 -10.635 8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.218 -12.277 7.764 1.00 0.00 H new ATOM 1265 N HIS A 80 -13.433 -11.002 8.145 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.519 -10.206 8.737 1.00 0.00 C ATOM 1267 C HIS A 80 -14.046 -9.118 9.719 1.00 0.00 C ATOM 1268 O HIS A 80 -14.822 -8.211 10.020 1.00 0.00 O ATOM 1269 CB HIS A 80 -15.529 -11.146 9.418 1.00 0.00 C ATOM 1270 CG HIS A 80 -16.053 -12.235 8.512 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -16.799 -12.049 7.361 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -15.854 -13.578 8.680 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -17.045 -13.267 6.834 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -16.482 -14.211 7.619 1.00 0.00 N ATOM 0 H HIS A 80 -13.462 -11.983 8.422 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.990 -9.666 7.916 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.056 -11.605 10.287 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.369 -10.557 9.786 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.312 -14.053 9.484 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.603 -13.457 5.929 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.514 -15.218 7.458 1.00 0.00 H new ATOM 1283 N ASP A 81 -12.824 -9.215 10.258 1.00 0.00 N ATOM 1284 CA ASP A 81 -12.298 -8.290 11.276 1.00 0.00 C ATOM 1285 C ASP A 81 -10.764 -8.054 11.280 1.00 0.00 C ATOM 1286 O ASP A 81 -10.206 -7.763 12.344 1.00 0.00 O ATOM 1287 CB ASP A 81 -12.788 -8.774 12.660 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.039 -10.009 13.208 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -11.704 -10.934 12.428 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -11.819 -10.079 14.443 1.00 0.00 O ATOM 0 H ASP A 81 -12.163 -9.947 9.998 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.690 -7.306 11.018 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.686 -7.957 13.374 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.850 -9.009 12.594 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.063 -8.110 10.132 1.00 0.00 N ATOM 1296 CA CYS A 82 -8.619 -7.796 10.107 1.00 0.00 C ATOM 1297 C CYS A 82 -8.466 -6.292 10.471 1.00 0.00 C ATOM 1298 O CYS A 82 -9.254 -5.472 9.976 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.021 -8.095 8.720 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.281 -8.644 8.748 1.00 0.00 S ATOM 0 H CYS A 82 -10.460 -8.364 9.228 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.078 -8.414 10.824 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.624 -8.864 8.237 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.096 -7.198 8.105 1.00 0.00 H new ATOM 0 HG CYS A 82 -5.498 -7.610 8.661 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.509 -5.885 11.327 1.00 0.00 N ATOM 1306 CA PRO A 83 -7.362 -4.502 11.798 1.00 0.00 C ATOM 1307 C PRO A 83 -7.115 -3.427 10.724 1.00 0.00 C ATOM 1308 O PRO A 83 -7.212 -2.238 11.041 1.00 0.00 O ATOM 1309 CB PRO A 83 -6.229 -4.539 12.833 1.00 0.00 C ATOM 1310 CG PRO A 83 -5.429 -5.775 12.430 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.520 -6.733 11.972 1.00 0.00 C ATOM 0 HA PRO A 83 -8.319 -4.181 12.210 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.620 -3.636 12.796 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.614 -4.622 13.849 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.718 -5.557 11.633 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.857 -6.179 13.265 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.127 -7.479 11.281 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.951 -7.274 12.814 1.00 0.00 H new ATOM 1319 N VAL A 84 -6.811 -3.801 9.474 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.556 -2.855 8.367 1.00 0.00 C ATOM 1321 C VAL A 84 -7.430 -3.183 7.157 1.00 0.00 C ATOM 1322 O VAL A 84 -8.076 -2.298 6.594 1.00 0.00 O ATOM 1323 CB VAL A 84 -5.080 -2.807 7.926 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.782 -1.393 7.409 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -4.097 -3.163 9.041 1.00 0.00 C ATOM 0 H VAL A 84 -6.733 -4.779 9.195 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.811 -1.871 8.760 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.942 -3.559 7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.741 -1.334 7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.433 -1.170 6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.959 -0.670 8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.078 -3.108 8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.213 -2.461 9.866 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.298 -4.174 9.394 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.444 -4.447 6.742 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.178 -4.957 5.599 1.00 0.00 C ATOM 1337 C CYS A 85 -9.683 -4.659 5.678 1.00 0.00 C ATOM 1338 O CYS A 85 -10.246 -4.155 4.705 1.00 0.00 O ATOM 1339 CB CYS A 85 -7.862 -6.455 5.446 1.00 0.00 C ATOM 1340 SG CYS A 85 -6.079 -6.795 5.682 1.00 0.00 S ATOM 0 H CYS A 85 -6.915 -5.176 7.221 1.00 0.00 H new ATOM 0 HA CYS A 85 -7.851 -4.436 4.699 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.441 -7.026 6.172 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.170 -6.793 4.456 1.00 0.00 H new ATOM 0 HG CYS A 85 -5.908 -7.478 6.775 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.327 -4.933 6.822 1.00 0.00 N ATOM 1346 CA LEU A 86 -11.752 -4.676 7.061 1.00 0.00 C ATOM 1347 C LEU A 86 -12.153 -3.209 6.779 1.00 0.00 C ATOM 1348 O LEU A 86 -12.978 -3.015 5.882 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.163 -5.202 8.454 1.00 0.00 C ATOM 1350 CG LEU A 86 -13.665 -5.171 8.812 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.219 -3.777 9.117 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -14.531 -5.843 7.747 1.00 0.00 C ATOM 0 H LEU A 86 -9.858 -5.350 7.626 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.334 -5.242 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -11.818 -6.232 8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.626 -4.622 9.205 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.721 -5.743 9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.279 -3.852 9.358 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.684 -3.350 9.965 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.089 -3.135 8.246 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.578 -5.795 8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.401 -5.329 6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.232 -6.886 7.640 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.623 -2.173 7.475 1.00 0.00 N ATOM 1365 CA PRO A 87 -12.002 -0.778 7.223 1.00 0.00 C ATOM 1366 C PRO A 87 -11.753 -0.320 5.775 1.00 0.00 C ATOM 1367 O PRO A 87 -12.546 0.451 5.238 1.00 0.00 O ATOM 1368 CB PRO A 87 -11.257 0.066 8.261 1.00 0.00 C ATOM 1369 CG PRO A 87 -10.092 -0.810 8.707 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.655 -2.226 8.567 1.00 0.00 C ATOM 0 HA PRO A 87 -13.080 -0.657 7.332 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.905 1.004 7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.903 0.323 9.100 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.212 -0.661 8.081 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.794 -0.594 9.733 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.861 -2.941 8.349 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -11.130 -2.549 9.493 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.683 -0.791 5.125 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.376 -0.489 3.718 1.00 0.00 C ATOM 1380 C LEU A 88 -11.391 -1.141 2.758 1.00 0.00 C ATOM 1381 O LEU A 88 -11.916 -0.470 1.867 1.00 0.00 O ATOM 1382 CB LEU A 88 -8.941 -0.924 3.404 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.861 -0.101 4.124 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.504 -0.738 3.846 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.827 1.358 3.658 1.00 0.00 C ATOM 0 H LEU A 88 -9.995 -1.401 5.566 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.458 0.587 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.824 -1.973 3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.779 -0.853 2.328 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.095 -0.100 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.724 -0.167 4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.500 -1.763 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.316 -0.740 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.047 1.894 4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.618 1.394 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.792 1.826 3.855 1.00 0.00 H new ATOM 1397 N LYS A 89 -11.677 -2.438 2.938 1.00 0.00 N ATOM 1398 CA LYS A 89 -12.646 -3.230 2.160 1.00 0.00 C ATOM 1399 C LYS A 89 -14.064 -2.661 2.284 1.00 0.00 C ATOM 1400 O LYS A 89 -14.734 -2.435 1.275 1.00 0.00 O ATOM 1401 CB LYS A 89 -12.589 -4.696 2.628 1.00 0.00 C ATOM 1402 CG LYS A 89 -13.471 -5.636 1.791 1.00 0.00 C ATOM 1403 CD LYS A 89 -13.554 -7.017 2.459 1.00 0.00 C ATOM 1404 CE LYS A 89 -14.211 -8.080 1.567 1.00 0.00 C ATOM 1405 NZ LYS A 89 -15.652 -7.809 1.316 1.00 0.00 N ATOM 0 H LYS A 89 -11.219 -2.991 3.663 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.379 -3.180 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.557 -5.044 2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.901 -4.750 3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.470 -5.213 1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.060 -5.734 0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.550 -7.346 2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.118 -6.931 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.683 -8.126 0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.106 -9.058 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.045 -8.556 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.165 -7.792 2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.755 -6.889 0.842 1.00 0.00 H new ATOM 1731 N GLY B 114 8.564 7.804 12.064 1.00 0.00 N ATOM 1732 CA GLY B 114 8.724 8.340 10.705 1.00 0.00 C ATOM 1733 C GLY B 114 8.431 7.276 9.650 1.00 0.00 C ATOM 1734 O GLY B 114 7.270 6.937 9.416 1.00 0.00 O ATOM 0 HA2 GLY B 114 8.054 9.188 10.565 1.00 0.00 H new ATOM 0 HA3 GLY B 114 9.740 8.713 10.576 1.00 0.00 H new ATOM 1738 N LEU B 115 9.485 6.741 9.032 1.00 0.00 N ATOM 1739 CA LEU B 115 9.436 5.691 8.012 1.00 0.00 C ATOM 1740 C LEU B 115 10.590 4.696 8.264 1.00 0.00 C ATOM 1741 O LEU B 115 11.756 5.106 8.247 1.00 0.00 O ATOM 1742 CB LEU B 115 9.480 6.349 6.614 1.00 0.00 C ATOM 1743 CG LEU B 115 8.410 5.912 5.598 1.00 0.00 C ATOM 1744 CD1 LEU B 115 8.688 4.548 4.976 1.00 0.00 C ATOM 1745 CD2 LEU B 115 6.981 5.908 6.142 1.00 0.00 C ATOM 0 H LEU B 115 10.438 7.040 9.237 1.00 0.00 H new ATOM 0 HA LEU B 115 8.509 5.120 8.063 1.00 0.00 H new ATOM 0 HB2 LEU B 115 9.400 7.428 6.746 1.00 0.00 H new ATOM 0 HB3 LEU B 115 10.460 6.152 6.179 1.00 0.00 H new ATOM 0 HG LEU B 115 8.482 6.684 4.832 1.00 0.00 H new ATOM 0 HD11 LEU B 115 7.895 4.302 4.270 1.00 0.00 H new ATOM 0 HD12 LEU B 115 9.644 4.574 4.453 1.00 0.00 H new ATOM 0 HD13 LEU B 115 8.724 3.791 5.760 1.00 0.00 H new ATOM 0 HD21 LEU B 115 6.294 5.587 5.359 1.00 0.00 H new ATOM 0 HD22 LEU B 115 6.915 5.221 6.986 1.00 0.00 H new ATOM 0 HD23 LEU B 115 6.714 6.913 6.470 1.00 0.00 H new ATOM 1757 N PRO B 116 10.296 3.411 8.543 1.00 0.00 N ATOM 1758 CA PRO B 116 11.298 2.396 8.882 1.00 0.00 C ATOM 1759 C PRO B 116 11.986 1.806 7.642 1.00 0.00 C ATOM 1760 O PRO B 116 11.725 2.203 6.505 1.00 0.00 O ATOM 1761 CB PRO B 116 10.479 1.321 9.616 1.00 0.00 C ATOM 1762 CG PRO B 116 9.183 1.329 8.815 1.00 0.00 C ATOM 1763 CD PRO B 116 8.963 2.821 8.602 1.00 0.00 C ATOM 0 HA PRO B 116 12.112 2.810 9.477 1.00 0.00 H new ATOM 0 HB2 PRO B 116 10.968 0.347 9.595 1.00 0.00 H new ATOM 0 HB3 PRO B 116 10.316 1.574 10.664 1.00 0.00 H new ATOM 0 HG2 PRO B 116 9.281 0.791 7.872 1.00 0.00 H new ATOM 0 HG3 PRO B 116 8.361 0.868 9.362 1.00 0.00 H new ATOM 0 HD2 PRO B 116 8.411 3.008 7.681 1.00 0.00 H new ATOM 0 HD3 PRO B 116 8.380 3.251 9.416 1.00 0.00 H new ATOM 1771 N GLN B 117 12.818 0.787 7.867 1.00 0.00 N ATOM 1772 CA GLN B 117 13.461 -0.039 6.843 1.00 0.00 C ATOM 1773 C GLN B 117 13.089 -1.504 7.102 1.00 0.00 C ATOM 1774 O GLN B 117 13.925 -2.354 7.426 1.00 0.00 O ATOM 1775 CB GLN B 117 14.975 0.224 6.770 1.00 0.00 C ATOM 1776 CG GLN B 117 15.265 1.485 5.948 1.00 0.00 C ATOM 1777 CD GLN B 117 16.760 1.785 5.865 1.00 0.00 C ATOM 1778 OE1 GLN B 117 17.424 1.517 4.870 1.00 0.00 O ATOM 1779 NE2 GLN B 117 17.353 2.352 6.895 1.00 0.00 N ATOM 0 H GLN B 117 13.074 0.502 8.812 1.00 0.00 H new ATOM 0 HA GLN B 117 13.096 0.227 5.851 1.00 0.00 H new ATOM 0 HB2 GLN B 117 15.379 0.339 7.776 1.00 0.00 H new ATOM 0 HB3 GLN B 117 15.477 -0.633 6.321 1.00 0.00 H new ATOM 0 HG2 GLN B 117 14.864 1.362 4.942 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.749 2.335 6.395 1.00 0.00 H new ATOM 0 HE21 GLN B 117 16.815 2.581 7.731 1.00 0.00 H new ATOM 0 HE22 GLN B 117 18.350 2.562 6.857 1.00 0.00 H new ATOM 1788 N LEU B 118 11.793 -1.784 6.932 1.00 0.00 N ATOM 1789 CA LEU B 118 11.219 -3.126 7.008 1.00 0.00 C ATOM 1790 C LEU B 118 11.680 -3.942 5.783 1.00 0.00 C ATOM 1791 O LEU B 118 12.260 -3.411 4.833 1.00 0.00 O ATOM 1792 CB LEU B 118 9.682 -3.031 7.082 1.00 0.00 C ATOM 1793 CG LEU B 118 9.130 -2.468 8.403 1.00 0.00 C ATOM 1794 CD1 LEU B 118 7.648 -2.137 8.249 1.00 0.00 C ATOM 1795 CD2 LEU B 118 9.252 -3.460 9.560 1.00 0.00 C ATOM 0 H LEU B 118 11.099 -1.064 6.733 1.00 0.00 H new ATOM 0 HA LEU B 118 11.563 -3.635 7.908 1.00 0.00 H new ATOM 0 HB2 LEU B 118 9.332 -2.404 6.262 1.00 0.00 H new ATOM 0 HB3 LEU B 118 9.263 -4.025 6.925 1.00 0.00 H new ATOM 0 HG LEU B 118 9.722 -1.581 8.629 1.00 0.00 H new ATOM 0 HD11 LEU B 118 7.265 -1.739 9.188 1.00 0.00 H new ATOM 0 HD12 LEU B 118 7.521 -1.394 7.461 1.00 0.00 H new ATOM 0 HD13 LEU B 118 7.099 -3.041 7.987 1.00 0.00 H new ATOM 0 HD21 LEU B 118 8.848 -3.012 10.468 1.00 0.00 H new ATOM 0 HD22 LEU B 118 8.694 -4.366 9.323 1.00 0.00 H new ATOM 0 HD23 LEU B 118 10.301 -3.711 9.715 1.00 0.00 H new ATOM 1807 N THR B 119 11.442 -5.250 5.815 1.00 0.00 N ATOM 1808 CA THR B 119 11.851 -6.193 4.764 1.00 0.00 C ATOM 1809 C THR B 119 10.741 -7.190 4.447 1.00 0.00 C ATOM 1810 O THR B 119 9.719 -7.240 5.141 1.00 0.00 O ATOM 1811 CB THR B 119 13.125 -6.951 5.191 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.896 -7.674 6.386 1.00 0.00 O ATOM 1813 CG2 THR B 119 14.317 -6.008 5.397 1.00 0.00 C ATOM 0 H THR B 119 10.949 -5.699 6.587 1.00 0.00 H new ATOM 0 HA THR B 119 12.058 -5.615 3.864 1.00 0.00 H new ATOM 0 HB THR B 119 13.368 -7.638 4.381 1.00 0.00 H new ATOM 0 HG1 THR B 119 13.713 -8.150 6.642 1.00 0.00 H new ATOM 0 HG21 THR B 119 15.191 -6.586 5.697 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.531 -5.483 4.466 1.00 0.00 H new ATOM 0 HG23 THR B 119 14.077 -5.283 6.175 1.00 0.00 H new ATOM 1821 N SER B 120 10.960 -8.019 3.422 1.00 0.00 N ATOM 1822 CA SER B 120 10.084 -9.132 3.034 1.00 0.00 C ATOM 1823 C SER B 120 9.823 -10.010 4.258 1.00 0.00 C ATOM 1824 O SER B 120 8.672 -10.190 4.651 1.00 0.00 O ATOM 1825 CB SER B 120 10.719 -9.958 1.902 1.00 0.00 C ATOM 1826 OG SER B 120 12.122 -10.095 2.097 1.00 0.00 O ATOM 0 H SER B 120 11.778 -7.932 2.819 1.00 0.00 H new ATOM 0 HA SER B 120 9.139 -8.734 2.663 1.00 0.00 H new ATOM 0 HB2 SER B 120 10.256 -10.944 1.862 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.527 -9.476 0.943 1.00 0.00 H new ATOM 0 HG SER B 120 12.504 -10.625 1.366 1.00 0.00 H new ATOM 1832 N TYR B 121 10.898 -10.491 4.893 1.00 0.00 N ATOM 1833 CA TYR B 121 10.872 -11.295 6.114 1.00 0.00 C ATOM 1834 C TYR B 121 10.006 -10.660 7.214 1.00 0.00 C ATOM 1835 O TYR B 121 9.020 -11.269 7.624 1.00 0.00 O ATOM 1836 CB TYR B 121 12.305 -11.552 6.606 1.00 0.00 C ATOM 1837 CG TYR B 121 12.361 -12.404 7.861 1.00 0.00 C ATOM 1838 CD1 TYR B 121 12.400 -13.808 7.755 1.00 0.00 C ATOM 1839 CD2 TYR B 121 12.321 -11.797 9.134 1.00 0.00 C ATOM 1840 CE1 TYR B 121 12.396 -14.605 8.917 1.00 0.00 C ATOM 1841 CE2 TYR B 121 12.293 -12.590 10.297 1.00 0.00 C ATOM 1842 CZ TYR B 121 12.339 -13.999 10.192 1.00 0.00 C ATOM 1843 OH TYR B 121 12.316 -14.778 11.308 1.00 0.00 O ATOM 0 H TYR B 121 11.845 -10.323 4.555 1.00 0.00 H new ATOM 0 HA TYR B 121 10.407 -12.251 5.873 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.871 -12.044 5.815 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.793 -10.597 6.801 1.00 0.00 H new ATOM 0 HD1 TYR B 121 12.433 -14.274 6.781 1.00 0.00 H new ATOM 0 HD2 TYR B 121 12.312 -10.720 9.217 1.00 0.00 H new ATOM 0 HE1 TYR B 121 12.437 -15.681 8.833 1.00 0.00 H new ATOM 0 HE2 TYR B 121 12.236 -12.122 11.269 1.00 0.00 H new ATOM 0 HH TYR B 121 12.278 -14.208 12.104 1.00 0.00 H new ATOM 1853 N ASP B 122 10.346 -9.454 7.691 1.00 0.00 N ATOM 1854 CA ASP B 122 9.604 -8.764 8.758 1.00 0.00 C ATOM 1855 C ASP B 122 8.105 -8.630 8.452 1.00 0.00 C ATOM 1856 O ASP B 122 7.266 -8.981 9.288 1.00 0.00 O ATOM 1857 CB ASP B 122 10.211 -7.381 9.055 1.00 0.00 C ATOM 1858 CG ASP B 122 11.349 -7.441 10.085 1.00 0.00 C ATOM 1859 OD1 ASP B 122 11.126 -7.990 11.192 1.00 0.00 O ATOM 1860 OD2 ASP B 122 12.444 -6.891 9.832 1.00 0.00 O ATOM 0 H ASP B 122 11.148 -8.926 7.346 1.00 0.00 H new ATOM 0 HA ASP B 122 9.698 -9.391 9.645 1.00 0.00 H new ATOM 0 HB2 ASP B 122 10.588 -6.948 8.128 1.00 0.00 H new ATOM 0 HB3 ASP B 122 9.429 -6.717 9.422 1.00 0.00 H new ATOM 1865 N CYS B 123 7.760 -8.125 7.267 1.00 0.00 N ATOM 1866 CA CYS B 123 6.375 -7.935 6.842 1.00 0.00 C ATOM 1867 C CYS B 123 5.608 -9.269 6.745 1.00 0.00 C ATOM 1868 O CYS B 123 4.524 -9.391 7.317 1.00 0.00 O ATOM 1869 CB CYS B 123 6.348 -7.133 5.538 1.00 0.00 C ATOM 1870 SG CYS B 123 7.053 -5.483 5.797 1.00 0.00 S ATOM 0 H CYS B 123 8.443 -7.833 6.568 1.00 0.00 H new ATOM 0 HA CYS B 123 5.847 -7.360 7.603 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.912 -7.660 4.768 1.00 0.00 H new ATOM 0 HB3 CYS B 123 5.323 -7.045 5.179 1.00 0.00 H new ATOM 0 HG CYS B 123 6.356 -4.605 5.139 1.00 0.00 H new ATOM 1876 N GLU B 124 6.164 -10.278 6.064 1.00 0.00 N ATOM 1877 CA GLU B 124 5.585 -11.628 5.939 1.00 0.00 C ATOM 1878 C GLU B 124 5.357 -12.277 7.317 1.00 0.00 C ATOM 1879 O GLU B 124 4.310 -12.878 7.553 1.00 0.00 O ATOM 1880 CB GLU B 124 6.465 -12.533 5.054 1.00 0.00 C ATOM 1881 CG GLU B 124 6.351 -12.178 3.564 1.00 0.00 C ATOM 1882 CD GLU B 124 7.256 -13.054 2.681 1.00 0.00 C ATOM 1883 OE1 GLU B 124 6.890 -14.219 2.398 1.00 0.00 O ATOM 1884 OE2 GLU B 124 8.317 -12.581 2.207 1.00 0.00 O ATOM 0 H GLU B 124 7.051 -10.179 5.571 1.00 0.00 H new ATOM 0 HA GLU B 124 4.614 -11.518 5.456 1.00 0.00 H new ATOM 0 HB2 GLU B 124 7.505 -12.444 5.368 1.00 0.00 H new ATOM 0 HB3 GLU B 124 6.175 -13.574 5.201 1.00 0.00 H new ATOM 0 HG2 GLU B 124 5.315 -12.293 3.244 1.00 0.00 H new ATOM 0 HG3 GLU B 124 6.614 -11.130 3.422 1.00 0.00 H new ATOM 1891 N VAL B 125 6.317 -12.145 8.238 1.00 0.00 N ATOM 1892 CA VAL B 125 6.260 -12.639 9.625 1.00 0.00 C ATOM 1893 C VAL B 125 5.121 -11.984 10.419 1.00 0.00 C ATOM 1894 O VAL B 125 4.337 -12.680 11.066 1.00 0.00 O ATOM 1895 CB VAL B 125 7.630 -12.427 10.311 1.00 0.00 C ATOM 1896 CG1 VAL B 125 7.604 -12.376 11.845 1.00 0.00 C ATOM 1897 CG2 VAL B 125 8.580 -13.554 9.890 1.00 0.00 C ATOM 0 H VAL B 125 7.196 -11.670 8.032 1.00 0.00 H new ATOM 0 HA VAL B 125 6.043 -13.707 9.602 1.00 0.00 H new ATOM 0 HB VAL B 125 7.962 -11.443 9.981 1.00 0.00 H new ATOM 0 HG11 VAL B 125 8.616 -12.224 12.221 1.00 0.00 H new ATOM 0 HG12 VAL B 125 6.968 -11.553 12.171 1.00 0.00 H new ATOM 0 HG13 VAL B 125 7.210 -13.315 12.234 1.00 0.00 H new ATOM 0 HG21 VAL B 125 9.548 -13.412 10.370 1.00 0.00 H new ATOM 0 HG22 VAL B 125 8.162 -14.514 10.193 1.00 0.00 H new ATOM 0 HG23 VAL B 125 8.706 -13.539 8.807 1.00 0.00 H new ATOM 1907 N ASN B 126 5.042 -10.651 10.407 1.00 0.00 N ATOM 1908 CA ASN B 126 4.049 -9.879 11.162 1.00 0.00 C ATOM 1909 C ASN B 126 2.618 -9.979 10.601 1.00 0.00 C ATOM 1910 O ASN B 126 1.670 -10.047 11.388 1.00 0.00 O ATOM 1911 CB ASN B 126 4.527 -8.425 11.288 1.00 0.00 C ATOM 1912 CG ASN B 126 5.592 -8.282 12.359 1.00 0.00 C ATOM 1913 OD1 ASN B 126 5.309 -7.975 13.506 1.00 0.00 O ATOM 1914 ND2 ASN B 126 6.837 -8.550 12.051 1.00 0.00 N ATOM 0 H ASN B 126 5.677 -10.067 9.863 1.00 0.00 H new ATOM 0 HA ASN B 126 3.975 -10.322 12.155 1.00 0.00 H new ATOM 0 HB2 ASN B 126 4.924 -8.087 10.331 1.00 0.00 H new ATOM 0 HB3 ASN B 126 3.680 -7.782 11.527 1.00 0.00 H new ATOM 0 HD21 ASN B 126 7.561 -8.501 12.767 1.00 0.00 H new ATOM 0 HD22 ASN B 126 7.082 -8.807 11.095 1.00 0.00 H new ATOM 1921 N ALA B 127 2.445 -9.983 9.275 1.00 0.00 N ATOM 1922 CA ALA B 127 1.141 -10.073 8.610 1.00 0.00 C ATOM 1923 C ALA B 127 1.154 -11.076 7.427 1.00 0.00 C ATOM 1924 O ALA B 127 1.138 -10.655 6.264 1.00 0.00 O ATOM 1925 CB ALA B 127 0.720 -8.651 8.206 1.00 0.00 C ATOM 0 H ALA B 127 3.225 -9.922 8.620 1.00 0.00 H new ATOM 0 HA ALA B 127 0.396 -10.479 9.294 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.249 -8.686 7.708 1.00 0.00 H new ATOM 0 HB2 ALA B 127 0.648 -8.026 9.096 1.00 0.00 H new ATOM 0 HB3 ALA B 127 1.462 -8.231 7.527 1.00 0.00 H new ATOM 1931 N PRO B 128 1.159 -12.401 7.694 1.00 0.00 N ATOM 1932 CA PRO B 128 1.163 -13.444 6.662 1.00 0.00 C ATOM 1933 C PRO B 128 -0.002 -13.338 5.672 1.00 0.00 C ATOM 1934 O PRO B 128 -1.144 -13.056 6.045 1.00 0.00 O ATOM 1935 CB PRO B 128 1.102 -14.784 7.410 1.00 0.00 C ATOM 1936 CG PRO B 128 1.602 -14.461 8.815 1.00 0.00 C ATOM 1937 CD PRO B 128 1.168 -13.012 9.018 1.00 0.00 C ATOM 0 HA PRO B 128 2.061 -13.341 6.053 1.00 0.00 H new ATOM 0 HB2 PRO B 128 0.087 -15.181 7.431 1.00 0.00 H new ATOM 0 HB3 PRO B 128 1.728 -15.536 6.929 1.00 0.00 H new ATOM 0 HG2 PRO B 128 1.160 -15.122 9.561 1.00 0.00 H new ATOM 0 HG3 PRO B 128 2.684 -14.572 8.892 1.00 0.00 H new ATOM 0 HD2 PRO B 128 0.180 -12.962 9.477 1.00 0.00 H new ATOM 0 HD3 PRO B 128 1.855 -12.489 9.683 1.00 0.00 H new ATOM 1945 N ILE B 129 0.290 -13.589 4.397 1.00 0.00 N ATOM 1946 CA ILE B 129 -0.683 -13.577 3.296 1.00 0.00 C ATOM 1947 C ILE B 129 -1.623 -14.782 3.471 1.00 0.00 C ATOM 1948 O ILE B 129 -1.174 -15.911 3.679 1.00 0.00 O ATOM 1949 CB ILE B 129 0.048 -13.582 1.935 1.00 0.00 C ATOM 1950 CG1 ILE B 129 1.016 -12.378 1.823 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -0.964 -13.527 0.777 1.00 0.00 C ATOM 1952 CD1 ILE B 129 2.141 -12.603 0.815 1.00 0.00 C ATOM 0 H ILE B 129 1.236 -13.813 4.088 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.283 -12.667 3.316 1.00 0.00 H new ATOM 0 HB ILE B 129 0.621 -14.507 1.871 1.00 0.00 H new ATOM 0 HG12 ILE B 129 0.451 -11.491 1.535 1.00 0.00 H new ATOM 0 HG13 ILE B 129 1.449 -12.176 2.803 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -0.430 -13.531 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -1.622 -14.394 0.827 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -1.558 -12.616 0.856 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.783 -11.723 0.784 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.729 -13.471 1.113 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.715 -12.776 -0.173 1.00 0.00 H new ATOM 1964 N GLN B 130 -2.935 -14.529 3.442 1.00 0.00 N ATOM 1965 CA GLN B 130 -3.979 -15.534 3.689 1.00 0.00 C ATOM 1966 C GLN B 130 -4.002 -16.680 2.665 1.00 0.00 C ATOM 1967 O GLN B 130 -4.080 -17.854 3.041 1.00 0.00 O ATOM 1968 CB GLN B 130 -5.353 -14.847 3.780 1.00 0.00 C ATOM 1969 CG GLN B 130 -5.415 -13.740 4.846 1.00 0.00 C ATOM 1970 CD GLN B 130 -5.034 -14.232 6.241 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -5.786 -14.923 6.915 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -3.872 -13.898 6.762 1.00 0.00 N ATOM 0 H GLN B 130 -3.311 -13.602 3.242 1.00 0.00 H new ATOM 0 HA GLN B 130 -3.736 -16.006 4.641 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -5.602 -14.420 2.809 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -6.112 -15.597 4.002 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -4.747 -12.928 4.558 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -6.424 -13.328 4.875 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -3.220 -13.323 6.228 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -3.623 -14.214 7.699 1.00 0.00 H new ATOM 2037 N LEU B 135 4.563 -12.350 -2.835 1.00 0.00 N ATOM 2038 CA LEU B 135 4.732 -10.971 -3.317 1.00 0.00 C ATOM 2039 C LEU B 135 4.088 -10.697 -4.693 1.00 0.00 C ATOM 2040 O LEU B 135 4.549 -11.183 -5.728 1.00 0.00 O ATOM 2041 CB LEU B 135 6.211 -10.540 -3.311 1.00 0.00 C ATOM 2042 CG LEU B 135 6.900 -10.446 -1.935 1.00 0.00 C ATOM 2043 CD1 LEU B 135 8.212 -9.672 -2.095 1.00 0.00 C ATOM 2044 CD2 LEU B 135 6.078 -9.724 -0.870 1.00 0.00 C ATOM 0 HA LEU B 135 4.185 -10.357 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU B 135 6.773 -11.244 -3.925 1.00 0.00 H new ATOM 0 HB3 LEU B 135 6.283 -9.566 -3.795 1.00 0.00 H new ATOM 0 HG LEU B 135 7.044 -11.473 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU B 135 8.711 -9.598 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU B 135 8.860 -10.195 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU B 135 8.000 -8.671 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU B 135 6.635 -9.702 0.067 1.00 0.00 H new ATOM 0 HD22 LEU B 135 5.876 -8.704 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU B 135 5.135 -10.250 -0.719 1.00 0.00 H new ATOM 2056 N LEU B 136 3.035 -9.877 -4.670 1.00 0.00 N ATOM 2057 CA LEU B 136 2.230 -9.332 -5.771 1.00 0.00 C ATOM 2058 C LEU B 136 3.142 -8.460 -6.676 1.00 0.00 C ATOM 2059 O LEU B 136 3.969 -7.708 -6.159 1.00 0.00 O ATOM 2060 CB LEU B 136 1.095 -8.551 -5.059 1.00 0.00 C ATOM 2061 CG LEU B 136 -0.198 -8.182 -5.798 1.00 0.00 C ATOM 2062 CD1 LEU B 136 0.051 -7.364 -7.046 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -1.070 -9.374 -6.188 1.00 0.00 C ATOM 0 H LEU B 136 2.683 -9.538 -3.775 1.00 0.00 H new ATOM 0 HA LEU B 136 1.798 -10.075 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU B 136 0.807 -9.134 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU B 136 1.529 -7.621 -4.693 1.00 0.00 H new ATOM 0 HG LEU B 136 -0.737 -7.589 -5.059 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -0.900 -7.133 -7.526 1.00 0.00 H new ATOM 0 HD12 LEU B 136 0.557 -6.436 -6.778 1.00 0.00 H new ATOM 0 HD13 LEU B 136 0.676 -7.932 -7.735 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -1.961 -9.019 -6.705 1.00 0.00 H new ATOM 0 HD22 LEU B 136 -0.508 -10.036 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -1.364 -9.919 -5.291 1.00 0.00 H new ATOM 2075 N GLN B 137 3.049 -8.574 -8.010 1.00 0.00 N ATOM 2076 CA GLN B 137 3.951 -7.901 -8.973 1.00 0.00 C ATOM 2077 C GLN B 137 3.262 -7.032 -10.047 1.00 0.00 C ATOM 2078 O GLN B 137 2.099 -7.239 -10.394 1.00 0.00 O ATOM 2079 CB GLN B 137 4.782 -8.968 -9.717 1.00 0.00 C ATOM 2080 CG GLN B 137 5.573 -9.951 -8.842 1.00 0.00 C ATOM 2081 CD GLN B 137 6.676 -9.309 -8.003 1.00 0.00 C ATOM 2082 OE1 GLN B 137 7.309 -8.328 -8.375 1.00 0.00 O ATOM 2083 NE2 GLN B 137 6.942 -9.836 -6.829 1.00 0.00 N ATOM 0 H GLN B 137 2.335 -9.145 -8.463 1.00 0.00 H new ATOM 0 HA GLN B 137 4.550 -7.226 -8.362 1.00 0.00 H new ATOM 0 HB2 GLN B 137 4.109 -9.543 -10.353 1.00 0.00 H new ATOM 0 HB3 GLN B 137 5.484 -8.456 -10.376 1.00 0.00 H new ATOM 0 HG2 GLN B 137 4.879 -10.463 -8.176 1.00 0.00 H new ATOM 0 HG3 GLN B 137 6.018 -10.711 -9.484 1.00 0.00 H new ATOM 0 HE21 GLN B 137 6.423 -10.653 -6.507 1.00 0.00 H new ATOM 0 HE22 GLN B 137 7.668 -9.428 -6.240 1.00 0.00 H new ATOM 2092 N GLY B 138 4.038 -6.105 -10.624 1.00 0.00 N ATOM 2093 CA GLY B 138 3.714 -5.214 -11.750 1.00 0.00 C ATOM 2094 C GLY B 138 2.299 -4.632 -11.811 1.00 0.00 C ATOM 2095 O GLY B 138 1.834 -4.022 -10.853 1.00 0.00 O ATOM 0 H GLY B 138 4.988 -5.944 -10.289 1.00 0.00 H new ATOM 0 HA2 GLY B 138 4.419 -4.382 -11.733 1.00 0.00 H new ATOM 0 HA3 GLY B 138 3.891 -5.763 -12.675 1.00 0.00 H new ATOM 2099 N GLU B 139 1.630 -4.765 -12.959 1.00 0.00 N ATOM 2100 CA GLU B 139 0.294 -4.202 -13.229 1.00 0.00 C ATOM 2101 C GLU B 139 -0.757 -4.560 -12.162 1.00 0.00 C ATOM 2102 O GLU B 139 -1.574 -3.717 -11.785 1.00 0.00 O ATOM 2103 CB GLU B 139 -0.165 -4.619 -14.636 1.00 0.00 C ATOM 2104 CG GLU B 139 -1.364 -3.791 -15.117 1.00 0.00 C ATOM 2105 CD GLU B 139 -1.802 -4.209 -16.532 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -1.132 -3.830 -17.524 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -2.841 -4.902 -16.655 1.00 0.00 O ATOM 0 H GLU B 139 2.009 -5.281 -13.753 1.00 0.00 H new ATOM 0 HA GLU B 139 0.386 -3.117 -13.181 1.00 0.00 H new ATOM 0 HB2 GLU B 139 0.662 -4.502 -15.337 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -0.432 -5.676 -14.632 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -2.196 -3.917 -14.425 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -1.103 -2.733 -15.113 1.00 0.00 H new ATOM 2114 N GLU B 140 -0.723 -5.792 -11.644 1.00 0.00 N ATOM 2115 CA GLU B 140 -1.619 -6.258 -10.578 1.00 0.00 C ATOM 2116 C GLU B 140 -1.537 -5.371 -9.322 1.00 0.00 C ATOM 2117 O GLU B 140 -2.554 -5.202 -8.650 1.00 0.00 O ATOM 2118 CB GLU B 140 -1.355 -7.733 -10.225 1.00 0.00 C ATOM 2119 CG GLU B 140 -1.610 -8.718 -11.375 1.00 0.00 C ATOM 2120 CD GLU B 140 -3.068 -8.691 -11.877 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -4.001 -8.932 -11.073 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -3.289 -8.448 -13.088 1.00 0.00 O ATOM 0 H GLU B 140 -0.063 -6.504 -11.957 1.00 0.00 H new ATOM 0 HA GLU B 140 -2.635 -6.179 -10.966 1.00 0.00 H new ATOM 0 HB2 GLU B 140 -0.320 -7.836 -9.898 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -1.985 -8.010 -9.380 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -0.942 -8.482 -12.203 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -1.364 -9.727 -11.044 1.00 0.00 H new ATOM 2129 N LEU B 141 -0.370 -4.774 -9.016 1.00 0.00 N ATOM 2130 CA LEU B 141 -0.199 -3.839 -7.893 1.00 0.00 C ATOM 2131 C LEU B 141 -1.172 -2.673 -8.067 1.00 0.00 C ATOM 2132 O LEU B 141 -2.041 -2.455 -7.229 1.00 0.00 O ATOM 2133 CB LEU B 141 1.235 -3.272 -7.807 1.00 0.00 C ATOM 2134 CG LEU B 141 2.351 -4.266 -7.453 1.00 0.00 C ATOM 2135 CD1 LEU B 141 3.691 -3.672 -7.874 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.420 -4.504 -5.943 1.00 0.00 C ATOM 0 H LEU B 141 0.487 -4.930 -9.547 1.00 0.00 H new ATOM 0 HA LEU B 141 -0.396 -4.392 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.478 -2.815 -8.766 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.241 -2.475 -7.064 1.00 0.00 H new ATOM 0 HG LEU B 141 2.141 -5.205 -7.965 1.00 0.00 H new ATOM 0 HD11 LEU B 141 4.492 -4.369 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU B 141 3.687 -3.490 -8.949 1.00 0.00 H new ATOM 0 HD13 LEU B 141 3.854 -2.732 -7.347 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.219 -5.212 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU B 141 2.620 -3.561 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU B 141 1.470 -4.909 -5.595 1.00 0.00 H new ATOM 2148 N LEU B 142 -1.035 -1.927 -9.168 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.867 -0.763 -9.466 1.00 0.00 C ATOM 2150 C LEU B 142 -3.356 -1.128 -9.517 1.00 0.00 C ATOM 2151 O LEU B 142 -4.170 -0.386 -8.974 1.00 0.00 O ATOM 2152 CB LEU B 142 -1.395 -0.038 -10.735 1.00 0.00 C ATOM 2153 CG LEU B 142 0.109 0.304 -10.801 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.311 1.393 -11.857 1.00 0.00 C ATOM 2155 CD2 LEU B 142 0.728 0.804 -9.488 1.00 0.00 C ATOM 0 H LEU B 142 -0.334 -2.119 -9.884 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.749 -0.058 -8.644 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -1.644 -0.657 -11.597 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -1.962 0.888 -10.833 1.00 0.00 H new ATOM 0 HG LEU B 142 0.613 -0.633 -11.040 1.00 0.00 H new ATOM 0 HD11 LEU B 142 1.369 1.649 -11.918 1.00 0.00 H new ATOM 0 HD12 LEU B 142 -0.031 1.028 -12.826 1.00 0.00 H new ATOM 0 HD13 LEU B 142 -0.261 2.279 -11.580 1.00 0.00 H new ATOM 0 HD21 LEU B 142 1.786 1.016 -9.642 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.219 1.713 -9.169 1.00 0.00 H new ATOM 0 HD23 LEU B 142 0.619 0.038 -8.720 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.718 -2.278 -10.107 1.00 0.00 N ATOM 2168 CA ARG B 143 -5.102 -2.798 -10.119 1.00 0.00 C ATOM 2169 C ARG B 143 -5.634 -2.970 -8.688 1.00 0.00 C ATOM 2170 O ARG B 143 -6.725 -2.489 -8.382 1.00 0.00 O ATOM 2171 CB ARG B 143 -5.188 -4.109 -10.918 1.00 0.00 C ATOM 2172 CG ARG B 143 -5.018 -3.879 -12.428 1.00 0.00 C ATOM 2173 CD ARG B 143 -5.043 -5.213 -13.184 1.00 0.00 C ATOM 2174 NE ARG B 143 -4.945 -5.020 -14.642 1.00 0.00 N ATOM 2175 CZ ARG B 143 -5.912 -4.794 -15.510 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -7.165 -4.678 -15.167 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -5.611 -4.679 -16.767 1.00 0.00 N ATOM 0 H ARG B 143 -3.055 -2.881 -10.594 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.738 -2.068 -10.619 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -4.419 -4.797 -10.568 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -6.151 -4.585 -10.730 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -5.815 -3.232 -12.795 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -4.076 -3.364 -12.619 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -4.217 -5.838 -12.844 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -5.964 -5.746 -12.949 1.00 0.00 H new ATOM 0 HE ARG B 143 -4.004 -5.068 -15.032 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -7.435 -4.762 -14.187 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -7.874 -4.503 -15.879 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -4.640 -4.764 -17.069 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -6.345 -4.504 -17.453 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.861 -3.613 -7.807 1.00 0.00 N ATOM 2192 CA ALA B 144 -5.182 -3.777 -6.388 1.00 0.00 C ATOM 2193 C ALA B 144 -5.346 -2.404 -5.693 1.00 0.00 C ATOM 2194 O ALA B 144 -6.328 -2.196 -4.985 1.00 0.00 O ATOM 2195 CB ALA B 144 -4.121 -4.661 -5.714 1.00 0.00 C ATOM 0 H ALA B 144 -3.974 -4.044 -8.068 1.00 0.00 H new ATOM 0 HA ALA B 144 -6.142 -4.284 -6.291 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -4.364 -4.780 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -4.103 -5.639 -6.195 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -3.142 -4.192 -5.810 1.00 0.00 H new ATOM 2201 N LEU B 145 -4.427 -1.450 -5.900 1.00 0.00 N ATOM 2202 CA LEU B 145 -4.508 -0.090 -5.334 1.00 0.00 C ATOM 2203 C LEU B 145 -5.730 0.703 -5.841 1.00 0.00 C ATOM 2204 O LEU B 145 -6.334 1.469 -5.093 1.00 0.00 O ATOM 2205 CB LEU B 145 -3.225 0.713 -5.622 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.911 0.122 -5.084 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.760 1.091 -5.294 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.952 -0.204 -3.602 1.00 0.00 C ATOM 0 H LEU B 145 -3.596 -1.600 -6.472 1.00 0.00 H new ATOM 0 HA LEU B 145 -4.622 -0.226 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -3.130 0.829 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -3.346 1.712 -5.203 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.769 -0.803 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.160 0.653 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.645 1.294 -6.359 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.968 2.023 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.991 -0.617 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -2.156 0.704 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -2.738 -0.934 -3.412 1.00 0.00 H new ATOM 2220 N ASP B 146 -6.086 0.569 -7.119 1.00 0.00 N ATOM 2221 CA ASP B 146 -7.206 1.266 -7.762 1.00 0.00 C ATOM 2222 C ASP B 146 -8.585 0.880 -7.193 1.00 0.00 C ATOM 2223 O ASP B 146 -9.488 1.718 -7.162 1.00 0.00 O ATOM 2224 CB ASP B 146 -7.154 1.027 -9.279 1.00 0.00 C ATOM 2225 CG ASP B 146 -8.100 1.967 -10.040 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -7.791 3.181 -10.117 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -9.127 1.507 -10.591 1.00 0.00 O ATOM 0 H ASP B 146 -5.587 -0.049 -7.759 1.00 0.00 H new ATOM 0 HA ASP B 146 -7.088 2.328 -7.545 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -6.134 1.173 -9.635 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -7.421 -0.008 -9.493 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.758 -0.368 -6.731 1.00 0.00 N ATOM 2233 CA GLN B 147 -10.018 -0.887 -6.167 1.00 0.00 C ATOM 2234 C GLN B 147 -10.555 -0.073 -4.968 1.00 0.00 C ATOM 2235 O GLN B 147 -11.752 -0.107 -4.679 1.00 0.00 O ATOM 2236 CB GLN B 147 -9.880 -2.391 -5.844 1.00 0.00 C ATOM 2237 CG GLN B 147 -9.385 -2.715 -4.420 1.00 0.00 C ATOM 2238 CD GLN B 147 -8.857 -4.143 -4.250 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -8.925 -4.999 -5.126 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -8.305 -4.475 -3.104 1.00 0.00 N ATOM 0 H GLN B 147 -8.010 -1.062 -6.738 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.780 -0.765 -6.937 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -10.849 -2.868 -5.992 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -9.192 -2.838 -6.561 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -8.595 -2.013 -4.153 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -10.203 -2.556 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -8.233 -3.787 -2.354 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -7.949 -5.421 -2.964 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.674 0.657 -4.271 1.00 0.00 N ATOM 2250 CA VAL B 148 -9.974 1.516 -3.113 1.00 0.00 C ATOM 2251 C VAL B 148 -10.924 2.664 -3.474 1.00 0.00 C ATOM 2252 O VAL B 148 -11.882 2.928 -2.742 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.689 2.155 -2.545 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -8.981 2.931 -1.253 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.582 1.157 -2.216 1.00 0.00 C ATOM 0 H VAL B 148 -8.682 0.666 -4.510 1.00 0.00 H new ATOM 0 HA VAL B 148 -10.443 0.863 -2.377 1.00 0.00 H new ATOM 0 HB VAL B 148 -8.343 2.809 -3.346 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -8.057 3.370 -0.876 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.702 3.723 -1.459 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -9.392 2.252 -0.506 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -6.716 1.690 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -7.941 0.448 -1.470 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -7.297 0.619 -3.120 1.00 0.00 H new ATOM 2265 N ASN B 149 -10.605 3.371 -4.568 1.00 0.00 N ATOM 2266 CA ASN B 149 -11.235 4.604 -5.063 1.00 0.00 C ATOM 2267 C ASN B 149 -11.336 5.720 -3.991 1.00 0.00 C ATOM 2268 O ASN B 149 -12.321 6.495 -3.995 1.00 0.00 O ATOM 2269 CB ASN B 149 -12.519 4.275 -5.865 1.00 0.00 C ATOM 2270 CG ASN B 149 -13.720 3.742 -5.087 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -14.209 2.642 -5.321 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -14.262 4.517 -4.179 1.00 0.00 N ATOM 2273 OXT ASN B 149 -10.380 5.855 -3.191 1.00 0.00 O ATOM 0 H ASN B 149 -9.842 3.073 -5.176 1.00 0.00 H new ATOM 0 HA ASN B 149 -10.573 5.075 -5.789 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -12.831 5.180 -6.386 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -12.260 3.541 -6.628 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -15.088 4.205 -3.669 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -13.857 5.432 -3.982 1.00 0.00 H new