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 : no HE2:sc= -0.06 K(o=1.7,f=-1.2!) USER MOD Set 1.2: A 77 CYS SG : rot -138:sc= 0.341 USER MOD Set 1.3: A 82 CYS SG : rot 154:sc= 0.46 USER MOD Set 1.4: A 85 CYS SG : rot 118:sc= 0.985 USER MOD Set 2.1: A 12 GLN : amide:sc= 0.277 K(o=1.4,f=0.037) USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0.336 K(o=1.4,f=-0.41) USER MOD Set 2.3: A 66 SER OG : rot -68:sc= 0.805 USER MOD Set 3.1: A 49 HIS : no HE2:sc= -0.352 K(o=2.9,f=2.3) USER MOD Set 3.2: A 53 CYS SG : rot -139:sc= 0.398 USER MOD Set 3.3: A 59 CYS SG : rot 141:sc= 0.645 USER MOD Set 3.4: A 64 CYS SG : rot -158:sc= 2.2 USER MOD Set 4.1: A 39 HIS : no HD1:sc= -0.0892 X(o=-0.089,f=-0.03) USER MOD Set 4.2: A 42 THR OG1 : rot -160:sc= 0 USER MOD Set 5.1: A 18 HIS :FLIP no HD1:sc= -0.262 F(o=-3.6,f=-0.2) USER MOD Set 5.2: A 22 CYS SG : rot 155:sc= 1.26 USER MOD Set 5.3: A 40 CYS SG : rot 109:sc= -0.544! USER MOD Set 5.4: A 44 LYS NZ :NH3+ 150:sc= -0.65! (180deg=-1.12) USER MOD Single : A 1 ALA N :NH3+ -119:sc= 0.0694 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -152:sc= 1.23 (180deg=0.732) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc=-0.000772 (180deg=-0.0918) USER MOD Single : A 10 GLN : amide:sc= 0.23 K(o=0.23,f=-2.2!) USER MOD Single : A 11 GLN : amide:sc= 0.701 K(o=0.7,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 1.19 K(o=1.2,f=-3.7!) USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= 1.2 (180deg=1.12) USER MOD Single : A 43 MET CE :methyl -152:sc= 0 (180deg=-0.213) USER MOD Single : A 45 ASN : amide:sc= 0.868 K(o=0.87,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= -0.498 (180deg=-0.505) USER MOD Single : A 51 THR OG1 : rot 28:sc= 0.504 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.945 K(o=0.94,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.18) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -60:sc= 1.31 USER MOD Single : A 69 GLN : amide:sc= -0.768 K(o=-0.77,f=-1.3) USER MOD Single : A 72 SER OG : rot 80:sc= 2.09 USER MOD Single : A 75 LYS NZ :NH3+ -143:sc= 1.16 (180deg=0.175) USER MOD Single : A 76 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0426 X(o=-0.043,f=-0.0019) 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= 0.057 USER MOD Single : B 120 SER OG : rot -160:sc= -0.599 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot 83:sc= 0.227 USER MOD Single : B 126 ASN : amide:sc= 1.76 K(o=1.8,f=-3.9!) USER MOD Single : B 130 GLN : amide:sc= 0.125 X(o=0.13,f=-0.083) USER MOD Single : B 137 GLN : amide:sc= 0.941 K(o=0.94,f=-0.84) USER MOD Single : B 147 GLN : amide:sc= 0.904 K(o=0.9,f=0) USER MOD Single : B 149 ASN : amide:sc= 1 K(o=1,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.759 -11.662 16.274 1.00 0.00 N ATOM 2 CA ALA A 1 5.117 -10.377 15.898 1.00 0.00 C ATOM 3 C ALA A 1 5.252 -9.346 17.029 1.00 0.00 C ATOM 4 O ALA A 1 5.534 -9.703 18.174 1.00 0.00 O ATOM 5 CB ALA A 1 3.658 -10.596 15.465 1.00 0.00 C ATOM 0 H1 ALA A 1 6.527 -11.875 15.606 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.148 -11.587 17.236 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.053 -12.425 16.245 1.00 0.00 H new ATOM 0 HA ALA A 1 5.640 -9.966 15.034 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.211 -9.639 15.195 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.630 -11.265 14.605 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.097 -11.039 16.288 1.00 0.00 H new ATOM 13 N ASP A 2 5.086 -8.058 16.716 1.00 0.00 N ATOM 14 CA ASP A 2 5.245 -6.918 17.636 1.00 0.00 C ATOM 15 C ASP A 2 4.254 -5.779 17.299 1.00 0.00 C ATOM 16 O ASP A 2 4.122 -5.427 16.123 1.00 0.00 O ATOM 17 CB ASP A 2 6.715 -6.458 17.547 1.00 0.00 C ATOM 18 CG ASP A 2 6.957 -4.964 17.804 1.00 0.00 C ATOM 19 OD1 ASP A 2 6.548 -4.436 18.861 1.00 0.00 O ATOM 20 OD2 ASP A 2 7.583 -4.328 16.925 1.00 0.00 O ATOM 0 H ASP A 2 4.826 -7.764 15.775 1.00 0.00 H new ATOM 0 HA ASP A 2 5.013 -7.214 18.659 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.301 -7.032 18.265 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.095 -6.704 16.556 1.00 0.00 H new ATOM 25 N PRO A 3 3.563 -5.175 18.291 1.00 0.00 N ATOM 26 CA PRO A 3 2.606 -4.091 18.062 1.00 0.00 C ATOM 27 C PRO A 3 3.211 -2.866 17.361 1.00 0.00 C ATOM 28 O PRO A 3 2.528 -2.263 16.532 1.00 0.00 O ATOM 29 CB PRO A 3 2.006 -3.748 19.431 1.00 0.00 C ATOM 30 CG PRO A 3 3.066 -4.233 20.415 1.00 0.00 C ATOM 31 CD PRO A 3 3.626 -5.471 19.718 1.00 0.00 C ATOM 0 HA PRO A 3 1.835 -4.421 17.366 1.00 0.00 H new ATOM 0 HB2 PRO A 3 1.823 -2.678 19.533 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.052 -4.251 19.589 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.836 -3.480 20.585 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.636 -4.475 21.387 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.650 -5.669 20.033 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.040 -6.357 19.961 1.00 0.00 H new ATOM 39 N GLU A 4 4.468 -2.496 17.639 1.00 0.00 N ATOM 40 CA GLU A 4 5.134 -1.373 16.958 1.00 0.00 C ATOM 41 C GLU A 4 5.278 -1.675 15.459 1.00 0.00 C ATOM 42 O GLU A 4 4.754 -0.923 14.636 1.00 0.00 O ATOM 43 CB GLU A 4 6.467 -1.012 17.626 1.00 0.00 C ATOM 44 CG GLU A 4 7.063 0.277 17.049 1.00 0.00 C ATOM 45 CD GLU A 4 8.353 0.668 17.795 1.00 0.00 C ATOM 46 OE1 GLU A 4 8.267 1.352 18.845 1.00 0.00 O ATOM 47 OE2 GLU A 4 9.464 0.303 17.337 1.00 0.00 O ATOM 0 H GLU A 4 5.050 -2.961 18.336 1.00 0.00 H new ATOM 0 HA GLU A 4 4.508 -0.486 17.054 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.315 -0.894 18.699 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.174 -1.831 17.492 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.278 0.140 15.989 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.335 1.085 17.125 1.00 0.00 H new ATOM 54 N LYS A 5 5.927 -2.789 15.083 1.00 0.00 N ATOM 55 CA LYS A 5 6.017 -3.222 13.677 1.00 0.00 C ATOM 56 C LYS A 5 4.633 -3.317 13.033 1.00 0.00 C ATOM 57 O LYS A 5 4.474 -2.845 11.911 1.00 0.00 O ATOM 58 CB LYS A 5 6.839 -4.512 13.527 1.00 0.00 C ATOM 59 CG LYS A 5 8.336 -4.155 13.498 1.00 0.00 C ATOM 60 CD LYS A 5 9.255 -5.373 13.334 1.00 0.00 C ATOM 61 CE LYS A 5 9.317 -6.298 14.558 1.00 0.00 C ATOM 62 NZ LYS A 5 9.796 -5.590 15.775 1.00 0.00 N ATOM 0 H LYS A 5 6.401 -3.411 15.738 1.00 0.00 H new ATOM 0 HA LYS A 5 6.562 -2.454 13.127 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.630 -5.189 14.355 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.559 -5.032 12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.519 -3.459 12.679 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.595 -3.636 14.421 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.918 -5.952 12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.262 -5.023 13.108 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.327 -6.713 14.748 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.979 -7.137 14.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.265 -6.268 16.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.471 -4.847 15.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.987 -5.159 16.267 1.00 0.00 H new ATOM 76 N ARG A 6 3.615 -3.846 13.725 1.00 0.00 N ATOM 77 CA ARG A 6 2.229 -3.865 13.225 1.00 0.00 C ATOM 78 C ARG A 6 1.737 -2.448 12.885 1.00 0.00 C ATOM 79 O ARG A 6 1.339 -2.238 11.743 1.00 0.00 O ATOM 80 CB ARG A 6 1.300 -4.643 14.171 1.00 0.00 C ATOM 81 CG ARG A 6 -0.120 -4.759 13.585 1.00 0.00 C ATOM 82 CD ARG A 6 -0.980 -5.789 14.328 1.00 0.00 C ATOM 83 NE ARG A 6 -0.620 -7.177 13.965 1.00 0.00 N ATOM 84 CZ ARG A 6 -1.007 -8.286 14.571 1.00 0.00 C ATOM 85 NH1 ARG A 6 -1.743 -8.272 15.647 1.00 0.00 N ATOM 86 NH2 ARG A 6 -0.663 -9.447 14.098 1.00 0.00 N ATOM 0 H ARG A 6 3.726 -4.272 14.645 1.00 0.00 H new ATOM 0 HA ARG A 6 2.208 -4.414 12.284 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.706 -5.639 14.346 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.258 -4.141 15.138 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.608 -3.785 13.627 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.054 -5.037 12.533 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.861 -5.653 15.403 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.032 -5.616 14.099 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.006 -7.291 13.159 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.040 -7.383 16.050 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.021 -9.150 16.086 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.092 -9.505 13.255 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.964 -10.300 14.570 1.00 0.00 H new ATOM 100 N LYS A 7 1.777 -1.463 13.799 1.00 0.00 N ATOM 101 CA LYS A 7 1.356 -0.076 13.475 1.00 0.00 C ATOM 102 C LYS A 7 2.192 0.575 12.361 1.00 0.00 C ATOM 103 O LYS A 7 1.639 1.292 11.528 1.00 0.00 O ATOM 104 CB LYS A 7 1.097 0.800 14.719 1.00 0.00 C ATOM 105 CG LYS A 7 2.247 1.163 15.672 1.00 0.00 C ATOM 106 CD LYS A 7 3.297 2.122 15.089 1.00 0.00 C ATOM 107 CE LYS A 7 3.977 3.014 16.137 1.00 0.00 C ATOM 108 NZ LYS A 7 3.047 4.026 16.700 1.00 0.00 N ATOM 0 H LYS A 7 2.092 -1.593 14.760 1.00 0.00 H new ATOM 0 HA LYS A 7 0.367 -0.162 13.026 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.663 1.736 14.368 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.334 0.297 15.313 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.825 1.613 16.571 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.747 0.245 15.980 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.060 1.539 14.573 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.820 2.756 14.341 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.366 2.392 16.943 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.830 3.519 15.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.590 4.748 17.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.517 4.478 15.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.382 3.562 17.352 1.00 0.00 H new ATOM 122 N LEU A 8 3.492 0.275 12.277 1.00 0.00 N ATOM 123 CA LEU A 8 4.368 0.705 11.174 1.00 0.00 C ATOM 124 C LEU A 8 3.868 0.124 9.834 1.00 0.00 C ATOM 125 O LEU A 8 3.794 0.842 8.836 1.00 0.00 O ATOM 126 CB LEU A 8 5.823 0.290 11.461 1.00 0.00 C ATOM 127 CG LEU A 8 6.533 1.077 12.576 1.00 0.00 C ATOM 128 CD1 LEU A 8 7.897 0.447 12.863 1.00 0.00 C ATOM 129 CD2 LEU A 8 6.742 2.546 12.200 1.00 0.00 C ATOM 0 H LEU A 8 3.976 -0.281 12.982 1.00 0.00 H new ATOM 0 HA LEU A 8 4.338 1.792 11.096 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.835 -0.768 11.724 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.400 0.396 10.542 1.00 0.00 H new ATOM 0 HG LEU A 8 5.894 1.036 13.458 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.397 1.007 13.653 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.761 -0.587 13.181 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.506 0.471 11.960 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.246 3.062 13.017 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.353 2.608 11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.776 3.015 12.016 1.00 0.00 H new ATOM 141 N ILE A 9 3.490 -1.159 9.809 1.00 0.00 N ATOM 142 CA ILE A 9 2.896 -1.846 8.651 1.00 0.00 C ATOM 143 C ILE A 9 1.573 -1.159 8.268 1.00 0.00 C ATOM 144 O ILE A 9 1.411 -0.817 7.099 1.00 0.00 O ATOM 145 CB ILE A 9 2.759 -3.367 8.907 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.162 -4.016 8.922 1.00 0.00 C ATOM 147 CG2 ILE A 9 1.893 -4.059 7.840 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.200 -5.372 9.626 1.00 0.00 C ATOM 0 H ILE A 9 3.591 -1.770 10.620 1.00 0.00 H new ATOM 0 HA ILE A 9 3.561 -1.762 7.792 1.00 0.00 H new ATOM 0 HB ILE A 9 2.267 -3.495 9.871 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.508 -4.139 7.896 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.861 -3.340 9.415 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.825 -5.124 8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.894 -3.623 7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.345 -3.920 6.858 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.215 -5.768 9.598 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.885 -5.253 10.663 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.527 -6.064 9.120 1.00 0.00 H new ATOM 160 N GLN A 10 0.657 -0.908 9.222 1.00 0.00 N ATOM 161 CA GLN A 10 -0.605 -0.172 8.980 1.00 0.00 C ATOM 162 C GLN A 10 -0.329 1.150 8.244 1.00 0.00 C ATOM 163 O GLN A 10 -0.955 1.447 7.224 1.00 0.00 O ATOM 164 CB GLN A 10 -1.379 0.145 10.279 1.00 0.00 C ATOM 165 CG GLN A 10 -1.820 -1.058 11.120 1.00 0.00 C ATOM 166 CD GLN A 10 -2.694 -0.629 12.299 1.00 0.00 C ATOM 167 OE1 GLN A 10 -2.207 -0.220 13.344 1.00 0.00 O ATOM 168 NE2 GLN A 10 -4.005 -0.702 12.204 1.00 0.00 N ATOM 0 H GLN A 10 0.769 -1.211 10.190 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.222 -0.832 8.369 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.754 0.786 10.901 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.266 0.722 10.016 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.372 -1.759 10.493 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.941 -1.586 11.491 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.436 -1.040 11.343 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.590 -0.421 12.991 1.00 0.00 H new ATOM 177 N GLN A 11 0.629 1.931 8.760 1.00 0.00 N ATOM 178 CA GLN A 11 1.078 3.198 8.185 1.00 0.00 C ATOM 179 C GLN A 11 1.544 3.009 6.731 1.00 0.00 C ATOM 180 O GLN A 11 0.962 3.622 5.837 1.00 0.00 O ATOM 181 CB GLN A 11 2.161 3.816 9.086 1.00 0.00 C ATOM 182 CG GLN A 11 2.464 5.272 8.716 1.00 0.00 C ATOM 183 CD GLN A 11 3.754 5.744 9.374 1.00 0.00 C ATOM 184 OE1 GLN A 11 3.817 6.019 10.564 1.00 0.00 O ATOM 185 NE2 GLN A 11 4.825 5.841 8.620 1.00 0.00 N ATOM 0 H GLN A 11 1.126 1.687 9.617 1.00 0.00 H new ATOM 0 HA GLN A 11 0.244 3.899 8.145 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.837 3.768 10.126 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.074 3.226 9.009 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.548 5.366 7.633 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.637 5.910 9.028 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.772 5.612 7.628 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.709 6.146 9.027 1.00 0.00 H new ATOM 194 N GLN A 12 2.553 2.162 6.472 1.00 0.00 N ATOM 195 CA GLN A 12 3.036 1.890 5.107 1.00 0.00 C ATOM 196 C GLN A 12 1.902 1.464 4.160 1.00 0.00 C ATOM 197 O GLN A 12 1.858 1.945 3.033 1.00 0.00 O ATOM 198 CB GLN A 12 4.167 0.848 5.063 1.00 0.00 C ATOM 199 CG GLN A 12 5.513 1.342 5.625 1.00 0.00 C ATOM 200 CD GLN A 12 6.727 0.664 4.971 1.00 0.00 C ATOM 201 OE1 GLN A 12 7.749 1.288 4.719 1.00 0.00 O ATOM 202 NE2 GLN A 12 6.683 -0.620 4.677 1.00 0.00 N ATOM 0 H GLN A 12 3.055 1.649 7.197 1.00 0.00 H new ATOM 0 HA GLN A 12 3.443 2.839 4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.855 -0.033 5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.313 0.532 4.030 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.586 2.420 5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.539 1.161 6.700 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.842 -1.161 4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.490 -1.073 4.249 1.00 0.00 H new ATOM 211 N LEU A 13 0.989 0.588 4.597 1.00 0.00 N ATOM 212 CA LEU A 13 -0.166 0.112 3.831 1.00 0.00 C ATOM 213 C LEU A 13 -1.009 1.296 3.323 1.00 0.00 C ATOM 214 O LEU A 13 -1.180 1.461 2.116 1.00 0.00 O ATOM 215 CB LEU A 13 -0.946 -0.916 4.680 1.00 0.00 C ATOM 216 CG LEU A 13 -1.669 -1.989 3.846 1.00 0.00 C ATOM 217 CD1 LEU A 13 -1.947 -3.251 4.666 1.00 0.00 C ATOM 218 CD2 LEU A 13 -3.004 -1.505 3.289 1.00 0.00 C ATOM 0 H LEU A 13 1.038 0.177 5.529 1.00 0.00 H new ATOM 0 HA LEU A 13 0.155 -0.409 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.255 -1.406 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.679 -0.388 5.290 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.990 -2.208 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.458 -3.985 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.005 -3.669 5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.576 -2.999 5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.468 -2.304 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.661 -1.225 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.838 -0.640 2.646 1.00 0.00 H new ATOM 230 N VAL A 14 -1.493 2.152 4.228 1.00 0.00 N ATOM 231 CA VAL A 14 -2.287 3.343 3.892 1.00 0.00 C ATOM 232 C VAL A 14 -1.496 4.307 3.000 1.00 0.00 C ATOM 233 O VAL A 14 -2.020 4.743 1.973 1.00 0.00 O ATOM 234 CB VAL A 14 -2.808 4.012 5.175 1.00 0.00 C ATOM 235 CG1 VAL A 14 -3.488 5.366 4.927 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.831 3.089 5.849 1.00 0.00 C ATOM 0 H VAL A 14 -1.343 2.037 5.230 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.156 3.036 3.309 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.936 4.187 5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.831 5.780 5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.776 6.052 4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.340 5.229 4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.202 3.560 6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.663 2.909 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.356 2.141 6.100 1.00 0.00 H new ATOM 246 N LEU A 15 -0.241 4.623 3.351 1.00 0.00 N ATOM 247 CA LEU A 15 0.627 5.493 2.546 1.00 0.00 C ATOM 248 C LEU A 15 0.796 4.970 1.109 1.00 0.00 C ATOM 249 O LEU A 15 0.677 5.745 0.166 1.00 0.00 O ATOM 250 CB LEU A 15 2.015 5.672 3.187 1.00 0.00 C ATOM 251 CG LEU A 15 2.097 6.453 4.507 1.00 0.00 C ATOM 252 CD1 LEU A 15 3.574 6.545 4.905 1.00 0.00 C ATOM 253 CD2 LEU A 15 1.527 7.862 4.386 1.00 0.00 C ATOM 0 H LEU A 15 0.201 4.281 4.204 1.00 0.00 H new ATOM 0 HA LEU A 15 0.128 6.461 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.436 4.681 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.657 6.171 2.462 1.00 0.00 H new ATOM 0 HG LEU A 15 1.505 5.928 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.665 7.096 5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.979 5.541 5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.130 7.063 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.609 8.371 5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.085 8.417 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.479 7.806 4.093 1.00 0.00 H new ATOM 265 N LEU A 16 1.087 3.678 0.928 1.00 0.00 N ATOM 266 CA LEU A 16 1.288 3.034 -0.372 1.00 0.00 C ATOM 267 C LEU A 16 0.032 3.088 -1.255 1.00 0.00 C ATOM 268 O LEU A 16 0.112 3.498 -2.414 1.00 0.00 O ATOM 269 CB LEU A 16 1.777 1.598 -0.148 1.00 0.00 C ATOM 270 CG LEU A 16 2.122 0.866 -1.454 1.00 0.00 C ATOM 271 CD1 LEU A 16 3.258 1.550 -2.211 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.596 -0.535 -1.106 1.00 0.00 C ATOM 0 H LEU A 16 1.192 3.031 1.709 1.00 0.00 H new ATOM 0 HA LEU A 16 2.050 3.587 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.658 1.617 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.007 1.038 0.383 1.00 0.00 H new ATOM 0 HG LEU A 16 1.230 0.863 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.468 0.999 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.967 2.570 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.151 1.570 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.846 -1.072 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.478 -0.473 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.804 -1.066 -0.578 1.00 0.00 H new ATOM 284 N LEU A 17 -1.129 2.711 -0.707 1.00 0.00 N ATOM 285 CA LEU A 17 -2.424 2.835 -1.388 1.00 0.00 C ATOM 286 C LEU A 17 -2.645 4.283 -1.846 1.00 0.00 C ATOM 287 O LEU A 17 -2.929 4.533 -3.022 1.00 0.00 O ATOM 288 CB LEU A 17 -3.557 2.359 -0.463 1.00 0.00 C ATOM 289 CG LEU A 17 -3.922 0.868 -0.579 1.00 0.00 C ATOM 290 CD1 LEU A 17 -2.792 -0.134 -0.362 1.00 0.00 C ATOM 291 CD2 LEU A 17 -4.991 0.580 0.467 1.00 0.00 C ATOM 0 H LEU A 17 -1.197 2.309 0.228 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.426 2.200 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.272 2.567 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.448 2.951 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.237 0.728 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.178 -1.147 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.008 0.036 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.381 -0.008 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.277 -0.471 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.598 0.801 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.865 1.203 0.276 1.00 0.00 H new ATOM 303 N HIS A 18 -2.483 5.236 -0.923 1.00 0.00 N ATOM 304 CA HIS A 18 -2.597 6.658 -1.217 1.00 0.00 C ATOM 305 C HIS A 18 -1.604 7.107 -2.310 1.00 0.00 C ATOM 306 O HIS A 18 -2.023 7.799 -3.227 1.00 0.00 O ATOM 307 CB HIS A 18 -2.480 7.496 0.062 1.00 0.00 C ATOM 308 CG HIS A 18 -2.637 8.957 -0.262 1.00 0.00 C ATOM 309 ND1 HIS A 18 -1.623 9.763 -0.699 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 -3.820 9.637 -0.445 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 -2.190 10.945 -1.183 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 -3.517 10.827 -0.997 1.00 0.00 N flip ATOM 0 H HIS A 18 -2.268 5.036 0.054 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.592 6.831 -1.626 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.243 7.190 0.778 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.513 7.322 0.533 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.808 9.282 -0.193 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.668 11.784 -1.619 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.201 11.543 -1.241 1.00 0.00 H new ATOM 320 N ALA A 19 -0.323 6.725 -2.260 1.00 0.00 N ATOM 321 CA ALA A 19 0.720 7.087 -3.233 1.00 0.00 C ATOM 322 C ALA A 19 0.277 6.933 -4.702 1.00 0.00 C ATOM 323 O ALA A 19 0.532 7.809 -5.535 1.00 0.00 O ATOM 324 CB ALA A 19 1.992 6.289 -2.934 1.00 0.00 C ATOM 0 H ALA A 19 0.032 6.131 -1.511 1.00 0.00 H new ATOM 0 HA ALA A 19 0.923 8.151 -3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.766 6.555 -3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.338 6.520 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.779 5.223 -3.009 1.00 0.00 H new ATOM 330 N HIS A 20 -0.413 5.834 -5.032 1.00 0.00 N ATOM 331 CA HIS A 20 -1.007 5.627 -6.361 1.00 0.00 C ATOM 332 C HIS A 20 -2.213 6.561 -6.563 1.00 0.00 C ATOM 333 O HIS A 20 -2.268 7.275 -7.566 1.00 0.00 O ATOM 334 CB HIS A 20 -1.353 4.149 -6.565 1.00 0.00 C ATOM 335 CG HIS A 20 -2.188 3.911 -7.802 1.00 0.00 C ATOM 336 ND1 HIS A 20 -1.715 3.849 -9.101 1.00 0.00 N ATOM 337 CD2 HIS A 20 -3.554 3.839 -7.840 1.00 0.00 C ATOM 338 CE1 HIS A 20 -2.785 3.744 -9.918 1.00 0.00 C ATOM 339 NE2 HIS A 20 -3.911 3.741 -9.175 1.00 0.00 N ATOM 0 H HIS A 20 -0.576 5.062 -4.385 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.279 5.888 -7.129 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.432 3.571 -6.637 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.892 3.782 -5.692 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.224 3.855 -6.993 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.746 3.674 -10.995 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.863 3.677 -9.535 1.00 0.00 H new ATOM 348 N LYS A 21 -3.166 6.582 -5.617 1.00 0.00 N ATOM 349 CA LYS A 21 -4.362 7.452 -5.649 1.00 0.00 C ATOM 350 C LYS A 21 -4.022 8.934 -5.892 1.00 0.00 C ATOM 351 O LYS A 21 -4.669 9.572 -6.716 1.00 0.00 O ATOM 352 CB LYS A 21 -5.198 7.281 -4.366 1.00 0.00 C ATOM 353 CG LYS A 21 -6.656 7.698 -4.630 1.00 0.00 C ATOM 354 CD LYS A 21 -7.479 7.972 -3.366 1.00 0.00 C ATOM 355 CE LYS A 21 -7.519 6.788 -2.394 1.00 0.00 C ATOM 356 NZ LYS A 21 -8.631 6.955 -1.423 1.00 0.00 N ATOM 0 H LYS A 21 -3.130 5.985 -4.791 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.958 7.129 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.162 6.243 -4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.777 7.887 -3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.657 8.594 -5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.147 6.912 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.064 8.839 -2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.498 8.230 -3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.648 5.858 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.571 6.713 -1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.481 6.323 -0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.659 7.941 -1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.533 6.719 -1.884 1.00 0.00 H new ATOM 370 N CYS A 22 -3.014 9.466 -5.202 1.00 0.00 N ATOM 371 CA CYS A 22 -2.475 10.827 -5.258 1.00 0.00 C ATOM 372 C CYS A 22 -2.279 11.317 -6.709 1.00 0.00 C ATOM 373 O CYS A 22 -2.749 12.392 -7.089 1.00 0.00 O ATOM 374 CB CYS A 22 -1.169 10.805 -4.446 1.00 0.00 C ATOM 375 SG CYS A 22 -0.541 12.463 -4.030 1.00 0.00 S ATOM 0 H CYS A 22 -2.504 8.901 -4.523 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.173 11.546 -4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.333 10.246 -3.525 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.408 10.269 -5.013 1.00 0.00 H new ATOM 0 HG CYS A 22 0.195 12.393 -2.961 1.00 0.00 H new ATOM 627 N HIS A 39 5.789 11.578 3.341 1.00 0.00 N ATOM 628 CA HIS A 39 6.178 10.214 2.946 1.00 0.00 C ATOM 629 C HIS A 39 5.386 9.598 1.780 1.00 0.00 C ATOM 630 O HIS A 39 5.805 8.572 1.247 1.00 0.00 O ATOM 631 CB HIS A 39 6.223 9.336 4.203 1.00 0.00 C ATOM 632 CG HIS A 39 7.311 9.790 5.157 1.00 0.00 C ATOM 633 ND1 HIS A 39 7.149 10.142 6.486 1.00 0.00 N ATOM 634 CD2 HIS A 39 8.617 10.020 4.817 1.00 0.00 C ATOM 635 CE1 HIS A 39 8.333 10.613 6.930 1.00 0.00 C ATOM 636 NE2 HIS A 39 9.245 10.530 5.939 1.00 0.00 N ATOM 0 HA HIS A 39 7.174 10.276 2.508 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.257 9.370 4.707 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.397 8.298 3.918 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.071 9.838 3.854 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.521 10.996 7.922 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.227 10.797 6.006 1.00 0.00 H new ATOM 645 N CYS A 40 4.299 10.231 1.336 1.00 0.00 N ATOM 646 CA CYS A 40 3.533 9.855 0.141 1.00 0.00 C ATOM 647 C CYS A 40 4.469 9.853 -1.096 1.00 0.00 C ATOM 648 O CYS A 40 4.549 8.869 -1.838 1.00 0.00 O ATOM 649 CB CYS A 40 2.349 10.829 0.069 1.00 0.00 C ATOM 650 SG CYS A 40 1.450 10.790 -1.500 1.00 0.00 S ATOM 0 H CYS A 40 3.913 11.046 1.812 1.00 0.00 H new ATOM 0 HA CYS A 40 3.130 8.843 0.176 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.655 10.600 0.878 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.715 11.841 0.240 1.00 0.00 H new ATOM 0 HG CYS A 40 0.287 10.238 -1.320 1.00 0.00 H new ATOM 655 N ARG A 41 5.277 10.916 -1.256 1.00 0.00 N ATOM 656 CA ARG A 41 6.349 11.051 -2.266 1.00 0.00 C ATOM 657 C ARG A 41 7.361 9.899 -2.171 1.00 0.00 C ATOM 658 O ARG A 41 7.726 9.315 -3.192 1.00 0.00 O ATOM 659 CB ARG A 41 7.022 12.434 -2.130 1.00 0.00 C ATOM 660 CG ARG A 41 6.656 13.436 -3.241 1.00 0.00 C ATOM 661 CD ARG A 41 5.158 13.653 -3.522 1.00 0.00 C ATOM 662 NE ARG A 41 4.381 14.005 -2.318 1.00 0.00 N ATOM 663 CZ ARG A 41 3.063 13.964 -2.192 1.00 0.00 C ATOM 664 NH1 ARG A 41 2.242 13.810 -3.189 1.00 0.00 N ATOM 665 NH2 ARG A 41 2.506 14.092 -1.039 1.00 0.00 N ATOM 0 H ARG A 41 5.200 11.741 -0.661 1.00 0.00 H new ATOM 0 HA ARG A 41 5.907 10.986 -3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.748 12.864 -1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.103 12.298 -2.123 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.096 14.400 -2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.129 13.105 -4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.046 14.445 -4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.743 12.746 -3.961 1.00 0.00 H new ATOM 0 HE ARG A 41 4.911 14.310 -1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.604 13.712 -4.137 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.236 13.787 -3.022 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.081 14.227 -0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.490 14.058 -0.957 1.00 0.00 H new ATOM 679 N THR A 42 7.794 9.538 -0.960 1.00 0.00 N ATOM 680 CA THR A 42 8.685 8.383 -0.714 1.00 0.00 C ATOM 681 C THR A 42 8.032 7.097 -1.228 1.00 0.00 C ATOM 682 O THR A 42 8.643 6.364 -2.005 1.00 0.00 O ATOM 683 CB THR A 42 9.061 8.221 0.770 1.00 0.00 C ATOM 684 OG1 THR A 42 9.476 9.459 1.313 1.00 0.00 O ATOM 685 CG2 THR A 42 10.199 7.213 0.965 1.00 0.00 C ATOM 0 H THR A 42 7.538 10.039 -0.109 1.00 0.00 H new ATOM 0 HA THR A 42 9.609 8.577 -1.258 1.00 0.00 H new ATOM 0 HB THR A 42 8.169 7.857 1.280 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.000 9.300 2.126 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.433 7.129 2.026 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.892 6.239 0.583 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.083 7.553 0.425 1.00 0.00 H new ATOM 693 N MET A 43 6.773 6.834 -0.854 1.00 0.00 N ATOM 694 CA MET A 43 6.014 5.682 -1.350 1.00 0.00 C ATOM 695 C MET A 43 5.896 5.676 -2.884 1.00 0.00 C ATOM 696 O MET A 43 5.994 4.605 -3.470 1.00 0.00 O ATOM 697 CB MET A 43 4.646 5.549 -0.679 1.00 0.00 C ATOM 698 CG MET A 43 4.707 5.016 0.755 1.00 0.00 C ATOM 699 SD MET A 43 5.409 3.351 0.966 1.00 0.00 S ATOM 700 CE MET A 43 7.075 3.759 1.560 1.00 0.00 C ATOM 0 H MET A 43 6.253 7.416 -0.198 1.00 0.00 H new ATOM 0 HA MET A 43 6.590 4.800 -1.071 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.159 6.524 -0.673 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.022 4.885 -1.277 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.293 5.713 1.355 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.696 5.016 1.163 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.767 2.967 1.275 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.399 4.701 1.117 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.061 3.855 2.646 1.00 0.00 H new ATOM 710 N LYS A 44 5.733 6.822 -3.566 1.00 0.00 N ATOM 711 CA LYS A 44 5.726 6.898 -5.047 1.00 0.00 C ATOM 712 C LYS A 44 7.056 6.421 -5.651 1.00 0.00 C ATOM 713 O LYS A 44 7.056 5.662 -6.620 1.00 0.00 O ATOM 714 CB LYS A 44 5.394 8.308 -5.556 1.00 0.00 C ATOM 715 CG LYS A 44 3.922 8.680 -5.347 1.00 0.00 C ATOM 716 CD LYS A 44 3.648 10.047 -5.991 1.00 0.00 C ATOM 717 CE LYS A 44 2.227 10.547 -5.725 1.00 0.00 C ATOM 718 NZ LYS A 44 2.024 10.963 -4.325 1.00 0.00 N ATOM 0 H LYS A 44 5.602 7.725 -3.111 1.00 0.00 H new ATOM 0 HA LYS A 44 4.935 6.225 -5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.025 9.033 -5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.634 8.373 -6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.277 7.921 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.691 8.714 -4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.363 10.775 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.809 9.977 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.012 11.388 -6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.516 9.758 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.309 11.717 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.699 10.149 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.921 11.316 -3.934 1.00 0.00 H new ATOM 732 N ASN A 45 8.188 6.836 -5.076 1.00 0.00 N ATOM 733 CA ASN A 45 9.525 6.384 -5.494 1.00 0.00 C ATOM 734 C ASN A 45 9.645 4.853 -5.334 1.00 0.00 C ATOM 735 O ASN A 45 10.086 4.156 -6.250 1.00 0.00 O ATOM 736 CB ASN A 45 10.615 7.142 -4.712 1.00 0.00 C ATOM 737 CG ASN A 45 10.861 8.541 -5.253 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.787 8.779 -6.017 1.00 0.00 O ATOM 739 ND2 ASN A 45 10.055 9.514 -4.891 1.00 0.00 N ATOM 0 H ASN A 45 8.206 7.500 -4.302 1.00 0.00 H new ATOM 0 HA ASN A 45 9.670 6.611 -6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.324 7.208 -3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.545 6.574 -4.750 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.204 10.458 -5.246 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.281 9.325 -4.255 1.00 0.00 H new ATOM 746 N VAL A 46 9.211 4.329 -4.182 1.00 0.00 N ATOM 747 CA VAL A 46 9.146 2.891 -3.859 1.00 0.00 C ATOM 748 C VAL A 46 8.275 2.152 -4.889 1.00 0.00 C ATOM 749 O VAL A 46 8.739 1.193 -5.498 1.00 0.00 O ATOM 750 CB VAL A 46 8.667 2.702 -2.406 1.00 0.00 C ATOM 751 CG1 VAL A 46 8.326 1.253 -2.048 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.749 3.201 -1.436 1.00 0.00 C ATOM 0 H VAL A 46 8.881 4.915 -3.415 1.00 0.00 H new ATOM 0 HA VAL A 46 10.140 2.448 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 46 7.748 3.281 -2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.997 1.202 -1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.528 0.895 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.209 0.628 -2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.408 3.066 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.666 2.633 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.942 4.258 -1.618 1.00 0.00 H new ATOM 762 N LEU A 47 7.042 2.619 -5.123 1.00 0.00 N ATOM 763 CA LEU A 47 6.050 2.144 -6.101 1.00 0.00 C ATOM 764 C LEU A 47 6.659 1.989 -7.504 1.00 0.00 C ATOM 765 O LEU A 47 6.544 0.919 -8.101 1.00 0.00 O ATOM 766 CB LEU A 47 4.833 3.094 -6.031 1.00 0.00 C ATOM 767 CG LEU A 47 3.584 2.768 -6.864 1.00 0.00 C ATOM 768 CD1 LEU A 47 3.676 3.164 -8.335 1.00 0.00 C ATOM 769 CD2 LEU A 47 3.213 1.297 -6.767 1.00 0.00 C ATOM 0 H LEU A 47 6.680 3.408 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 47 5.710 1.138 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.525 3.158 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.174 4.087 -6.324 1.00 0.00 H new ATOM 0 HG LEU A 47 2.802 3.384 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.750 2.895 -8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.834 4.240 -8.413 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.510 2.640 -8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.325 1.105 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.039 0.688 -7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.008 1.041 -5.727 1.00 0.00 H new ATOM 781 N ASN A 48 7.334 3.028 -8.014 1.00 0.00 N ATOM 782 CA ASN A 48 8.035 3.002 -9.303 1.00 0.00 C ATOM 783 C ASN A 48 9.021 1.821 -9.386 1.00 0.00 C ATOM 784 O ASN A 48 8.942 1.008 -10.312 1.00 0.00 O ATOM 785 CB ASN A 48 8.755 4.342 -9.519 1.00 0.00 C ATOM 786 CG ASN A 48 9.538 4.349 -10.825 1.00 0.00 C ATOM 787 OD1 ASN A 48 8.982 4.318 -11.916 1.00 0.00 O ATOM 788 ND2 ASN A 48 10.852 4.368 -10.762 1.00 0.00 N ATOM 0 H ASN A 48 7.409 3.925 -7.534 1.00 0.00 H new ATOM 0 HA ASN A 48 7.302 2.859 -10.097 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.025 5.152 -9.526 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.432 4.531 -8.686 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.404 4.357 -11.620 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.319 4.394 -9.855 1.00 0.00 H new ATOM 795 N HIS A 49 9.939 1.715 -8.417 1.00 0.00 N ATOM 796 CA HIS A 49 10.890 0.602 -8.340 1.00 0.00 C ATOM 797 C HIS A 49 10.139 -0.742 -8.302 1.00 0.00 C ATOM 798 O HIS A 49 10.451 -1.631 -9.091 1.00 0.00 O ATOM 799 CB HIS A 49 11.836 0.769 -7.141 1.00 0.00 C ATOM 800 CG HIS A 49 12.736 -0.438 -6.953 1.00 0.00 C ATOM 801 ND1 HIS A 49 13.933 -0.668 -7.599 1.00 0.00 N ATOM 802 CD2 HIS A 49 12.420 -1.583 -6.264 1.00 0.00 C ATOM 803 CE1 HIS A 49 14.313 -1.932 -7.326 1.00 0.00 C ATOM 804 NE2 HIS A 49 13.428 -2.529 -6.509 1.00 0.00 N ATOM 0 H HIS A 49 10.042 2.398 -7.666 1.00 0.00 H new ATOM 0 HA HIS A 49 11.510 0.608 -9.236 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.449 1.659 -7.284 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.249 0.928 -6.236 1.00 0.00 H new ATOM 0 HD1 HIS A 49 14.440 -0.000 -8.180 1.00 0.00 H new ATOM 0 HD2 HIS A 49 11.549 -1.730 -5.643 1.00 0.00 H new ATOM 0 HE1 HIS A 49 15.206 -2.401 -7.711 1.00 0.00 H new ATOM 812 N MET A 50 9.135 -0.876 -7.427 1.00 0.00 N ATOM 813 CA MET A 50 8.286 -2.060 -7.248 1.00 0.00 C ATOM 814 C MET A 50 7.780 -2.662 -8.571 1.00 0.00 C ATOM 815 O MET A 50 7.880 -3.873 -8.774 1.00 0.00 O ATOM 816 CB MET A 50 7.095 -1.728 -6.330 1.00 0.00 C ATOM 817 CG MET A 50 7.020 -2.650 -5.116 1.00 0.00 C ATOM 818 SD MET A 50 5.369 -2.866 -4.394 1.00 0.00 S ATOM 819 CE MET A 50 4.719 -1.179 -4.404 1.00 0.00 C ATOM 0 H MET A 50 8.879 -0.121 -6.791 1.00 0.00 H new ATOM 0 HA MET A 50 8.916 -2.819 -6.784 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.177 -0.695 -5.993 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.169 -1.805 -6.899 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.402 -3.630 -5.402 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.686 -2.261 -4.345 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.719 -1.172 -3.970 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.374 -0.533 -3.818 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.672 -0.813 -5.430 1.00 0.00 H new ATOM 829 N THR A 51 7.235 -1.837 -9.476 1.00 0.00 N ATOM 830 CA THR A 51 6.759 -2.285 -10.800 1.00 0.00 C ATOM 831 C THR A 51 7.893 -2.794 -11.700 1.00 0.00 C ATOM 832 O THR A 51 7.717 -3.809 -12.379 1.00 0.00 O ATOM 833 CB THR A 51 5.937 -1.220 -11.548 1.00 0.00 C ATOM 834 OG1 THR A 51 6.334 0.109 -11.273 1.00 0.00 O ATOM 835 CG2 THR A 51 4.467 -1.328 -11.155 1.00 0.00 C ATOM 0 H THR A 51 7.110 -0.838 -9.314 1.00 0.00 H new ATOM 0 HA THR A 51 6.095 -3.121 -10.579 1.00 0.00 H new ATOM 0 HB THR A 51 6.105 -1.420 -12.606 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.286 0.124 -11.040 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.891 -0.571 -11.688 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.093 -2.318 -11.415 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.365 -1.172 -10.081 1.00 0.00 H new ATOM 843 N HIS A 52 9.054 -2.123 -11.713 1.00 0.00 N ATOM 844 CA HIS A 52 10.239 -2.545 -12.481 1.00 0.00 C ATOM 845 C HIS A 52 10.866 -3.835 -11.924 1.00 0.00 C ATOM 846 O HIS A 52 11.307 -4.683 -12.705 1.00 0.00 O ATOM 847 CB HIS A 52 11.280 -1.414 -12.545 1.00 0.00 C ATOM 848 CG HIS A 52 10.894 -0.305 -13.494 1.00 0.00 C ATOM 849 ND1 HIS A 52 10.847 -0.406 -14.874 1.00 0.00 N ATOM 850 CD2 HIS A 52 10.550 0.971 -13.148 1.00 0.00 C ATOM 851 CE1 HIS A 52 10.463 0.794 -15.357 1.00 0.00 C ATOM 852 NE2 HIS A 52 10.274 1.646 -14.326 1.00 0.00 N ATOM 0 H HIS A 52 9.200 -1.262 -11.185 1.00 0.00 H new ATOM 0 HA HIS A 52 9.902 -2.765 -13.494 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.417 -0.998 -11.547 1.00 0.00 H new ATOM 0 HB3 HIS A 52 12.240 -1.829 -12.852 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.502 1.376 -12.148 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.328 1.035 -16.401 1.00 0.00 H new ATOM 0 HE2 HIS A 52 9.979 2.619 -14.402 1.00 0.00 H new ATOM 861 N CYS A 53 10.926 -3.977 -10.598 1.00 0.00 N ATOM 862 CA CYS A 53 11.474 -5.123 -9.876 1.00 0.00 C ATOM 863 C CYS A 53 10.718 -6.427 -10.226 1.00 0.00 C ATOM 864 O CYS A 53 9.490 -6.443 -10.381 1.00 0.00 O ATOM 865 CB CYS A 53 11.425 -4.791 -8.372 1.00 0.00 C ATOM 866 SG CYS A 53 12.561 -5.837 -7.400 1.00 0.00 S ATOM 0 H CYS A 53 10.574 -3.256 -9.967 1.00 0.00 H new ATOM 0 HA CYS A 53 12.508 -5.304 -10.171 1.00 0.00 H new ATOM 0 HB2 CYS A 53 11.683 -3.742 -8.224 1.00 0.00 H new ATOM 0 HB3 CYS A 53 10.407 -4.924 -8.005 1.00 0.00 H new ATOM 0 HG CYS A 53 11.981 -6.195 -6.293 1.00 0.00 H new ATOM 871 N GLN A 54 11.464 -7.525 -10.378 1.00 0.00 N ATOM 872 CA GLN A 54 10.972 -8.873 -10.720 1.00 0.00 C ATOM 873 C GLN A 54 11.550 -9.953 -9.784 1.00 0.00 C ATOM 874 O GLN A 54 11.423 -11.155 -10.045 1.00 0.00 O ATOM 875 CB GLN A 54 11.351 -9.203 -12.174 1.00 0.00 C ATOM 876 CG GLN A 54 10.749 -8.268 -13.238 1.00 0.00 C ATOM 877 CD GLN A 54 9.243 -8.464 -13.424 1.00 0.00 C ATOM 878 OE1 GLN A 54 8.790 -9.212 -14.285 1.00 0.00 O ATOM 879 NE2 GLN A 54 8.404 -7.817 -12.643 1.00 0.00 N ATOM 0 H GLN A 54 12.477 -7.502 -10.261 1.00 0.00 H new ATOM 0 HA GLN A 54 9.889 -8.872 -10.600 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.437 -9.177 -12.264 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.037 -10.224 -12.391 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.943 -7.233 -12.956 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.252 -8.438 -14.190 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.759 -7.190 -11.921 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.398 -7.942 -12.760 1.00 0.00 H new ATOM 888 N ALA A 55 12.196 -9.535 -8.695 1.00 0.00 N ATOM 889 CA ALA A 55 12.787 -10.416 -7.703 1.00 0.00 C ATOM 890 C ALA A 55 11.778 -10.757 -6.586 1.00 0.00 C ATOM 891 O ALA A 55 10.781 -10.058 -6.375 1.00 0.00 O ATOM 892 CB ALA A 55 14.036 -9.725 -7.141 1.00 0.00 C ATOM 0 H ALA A 55 12.323 -8.546 -8.478 1.00 0.00 H new ATOM 0 HA ALA A 55 13.066 -11.363 -8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.501 -10.366 -6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.744 -9.539 -7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.752 -8.778 -6.682 1.00 0.00 H new ATOM 898 N GLY A 56 12.063 -11.829 -5.845 1.00 0.00 N ATOM 899 CA GLY A 56 11.271 -12.278 -4.696 1.00 0.00 C ATOM 900 C GLY A 56 11.854 -11.703 -3.403 1.00 0.00 C ATOM 901 O GLY A 56 11.910 -10.483 -3.223 1.00 0.00 O ATOM 0 H GLY A 56 12.870 -12.424 -6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.235 -11.959 -4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.266 -13.367 -4.650 1.00 0.00 H new ATOM 905 N LYS A 57 12.320 -12.579 -2.508 1.00 0.00 N ATOM 906 CA LYS A 57 12.967 -12.217 -1.231 1.00 0.00 C ATOM 907 C LYS A 57 14.380 -11.625 -1.416 1.00 0.00 C ATOM 908 O LYS A 57 14.911 -10.995 -0.502 1.00 0.00 O ATOM 909 CB LYS A 57 13.019 -13.460 -0.317 1.00 0.00 C ATOM 910 CG LYS A 57 11.638 -14.037 0.056 1.00 0.00 C ATOM 911 CD LYS A 57 10.836 -13.144 1.017 1.00 0.00 C ATOM 912 CE LYS A 57 11.351 -13.225 2.463 1.00 0.00 C ATOM 913 NZ LYS A 57 10.713 -14.340 3.203 1.00 0.00 N ATOM 0 H LYS A 57 12.259 -13.587 -2.650 1.00 0.00 H new ATOM 0 HA LYS A 57 12.366 -11.433 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.601 -14.236 -0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.550 -13.200 0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.059 -14.188 -0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.775 -15.017 0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.886 -12.110 0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.787 -13.438 0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.432 -13.361 2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.150 -12.284 2.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.296 -14.588 4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.767 -14.048 3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.628 -15.167 2.579 1.00 0.00 H new ATOM 927 N ALA A 58 14.994 -11.851 -2.581 1.00 0.00 N ATOM 928 CA ALA A 58 16.349 -11.436 -2.954 1.00 0.00 C ATOM 929 C ALA A 58 16.623 -9.916 -2.938 1.00 0.00 C ATOM 930 O ALA A 58 17.749 -9.513 -2.631 1.00 0.00 O ATOM 931 CB ALA A 58 16.678 -12.040 -4.326 1.00 0.00 C ATOM 0 H ALA A 58 14.530 -12.359 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 58 17.009 -11.817 -2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.684 -11.743 -4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.623 -13.127 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.961 -11.680 -5.064 1.00 0.00 H new ATOM 937 N CYS A 59 15.635 -9.076 -3.281 1.00 0.00 N ATOM 938 CA CYS A 59 15.786 -7.614 -3.316 1.00 0.00 C ATOM 939 C CYS A 59 16.134 -7.074 -1.909 1.00 0.00 C ATOM 940 O CYS A 59 15.358 -7.203 -0.954 1.00 0.00 O ATOM 941 CB CYS A 59 14.506 -6.988 -3.899 1.00 0.00 C ATOM 942 SG CYS A 59 14.785 -5.294 -4.532 1.00 0.00 S ATOM 0 H CYS A 59 14.702 -9.395 -3.544 1.00 0.00 H new ATOM 0 HA CYS A 59 16.616 -7.335 -3.965 1.00 0.00 H new ATOM 0 HB2 CYS A 59 14.132 -7.618 -4.706 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.734 -6.963 -3.130 1.00 0.00 H new ATOM 0 HG CYS A 59 14.119 -5.128 -5.636 1.00 0.00 H new ATOM 947 N GLN A 60 17.340 -6.510 -1.777 1.00 0.00 N ATOM 948 CA GLN A 60 17.890 -5.994 -0.516 1.00 0.00 C ATOM 949 C GLN A 60 17.182 -4.727 -0.005 1.00 0.00 C ATOM 950 O GLN A 60 17.239 -4.431 1.193 1.00 0.00 O ATOM 951 CB GLN A 60 19.397 -5.732 -0.672 1.00 0.00 C ATOM 952 CG GLN A 60 20.190 -7.016 -0.968 1.00 0.00 C ATOM 953 CD GLN A 60 21.694 -6.753 -0.999 1.00 0.00 C ATOM 954 OE1 GLN A 60 22.290 -6.495 -2.039 1.00 0.00 O ATOM 955 NE2 GLN A 60 22.370 -6.804 0.131 1.00 0.00 N ATOM 0 H GLN A 60 17.978 -6.396 -2.565 1.00 0.00 H new ATOM 0 HA GLN A 60 17.715 -6.764 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.557 -5.016 -1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.779 -5.275 0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.967 -7.765 -0.209 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.872 -7.428 -1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.888 -7.017 1.004 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.375 -6.630 0.132 1.00 0.00 H new ATOM 964 N VAL A 61 16.524 -3.970 -0.891 1.00 0.00 N ATOM 965 CA VAL A 61 15.798 -2.733 -0.566 1.00 0.00 C ATOM 966 C VAL A 61 14.619 -3.035 0.372 1.00 0.00 C ATOM 967 O VAL A 61 13.662 -3.716 -0.003 1.00 0.00 O ATOM 968 CB VAL A 61 15.316 -2.012 -1.845 1.00 0.00 C ATOM 969 CG1 VAL A 61 14.647 -0.669 -1.508 1.00 0.00 C ATOM 970 CG2 VAL A 61 16.486 -1.709 -2.795 1.00 0.00 C ATOM 0 H VAL A 61 16.480 -4.206 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 61 16.486 -2.062 -0.051 1.00 0.00 H new ATOM 0 HB VAL A 61 14.605 -2.685 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.318 -0.185 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.786 -0.843 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.361 -0.025 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 61 16.111 -1.202 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 61 17.209 -1.068 -2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.969 -2.642 -3.086 1.00 0.00 H new ATOM 980 N ALA A 62 14.694 -2.506 1.599 1.00 0.00 N ATOM 981 CA ALA A 62 13.693 -2.651 2.660 1.00 0.00 C ATOM 982 C ALA A 62 12.268 -2.358 2.156 1.00 0.00 C ATOM 983 O ALA A 62 11.368 -3.202 2.197 1.00 0.00 O ATOM 984 CB ALA A 62 14.097 -1.707 3.805 1.00 0.00 C ATOM 0 H ALA A 62 15.490 -1.940 1.891 1.00 0.00 H new ATOM 0 HA ALA A 62 13.670 -3.683 3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.373 -1.788 4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.085 -1.983 4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.120 -0.680 3.439 1.00 0.00 H new ATOM 990 N HIS A 63 12.083 -1.135 1.652 1.00 0.00 N ATOM 991 CA HIS A 63 10.820 -0.628 1.118 1.00 0.00 C ATOM 992 C HIS A 63 10.223 -1.525 0.024 1.00 0.00 C ATOM 993 O HIS A 63 9.033 -1.808 0.093 1.00 0.00 O ATOM 994 CB HIS A 63 10.982 0.834 0.690 1.00 0.00 C ATOM 995 CG HIS A 63 11.483 1.717 1.811 1.00 0.00 C ATOM 996 ND1 HIS A 63 12.768 2.217 1.947 1.00 0.00 N ATOM 997 CD2 HIS A 63 10.775 2.052 2.931 1.00 0.00 C ATOM 998 CE1 HIS A 63 12.844 2.812 3.157 1.00 0.00 C ATOM 999 NE2 HIS A 63 11.650 2.709 3.777 1.00 0.00 N ATOM 0 H HIS A 63 12.836 -0.448 1.604 1.00 0.00 H new ATOM 0 HA HIS A 63 10.079 -0.658 1.917 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.677 0.888 -0.148 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.024 1.213 0.335 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.732 1.844 3.119 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.721 3.294 3.564 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.430 3.056 4.710 1.00 0.00 H new ATOM 1008 N CYS A 64 11.011 -1.999 -0.948 1.00 0.00 N ATOM 1009 CA CYS A 64 10.562 -2.921 -2.004 1.00 0.00 C ATOM 1010 C CYS A 64 9.990 -4.220 -1.389 1.00 0.00 C ATOM 1011 O CYS A 64 8.825 -4.578 -1.601 1.00 0.00 O ATOM 1012 CB CYS A 64 11.743 -3.197 -2.952 1.00 0.00 C ATOM 1013 SG CYS A 64 11.241 -4.253 -4.350 1.00 0.00 S ATOM 0 H CYS A 64 11.997 -1.750 -1.026 1.00 0.00 H new ATOM 0 HA CYS A 64 9.753 -2.469 -2.579 1.00 0.00 H new ATOM 0 HB2 CYS A 64 12.136 -2.253 -3.330 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.549 -3.680 -2.400 1.00 0.00 H new ATOM 0 HG CYS A 64 12.288 -4.845 -4.844 1.00 0.00 H new ATOM 1018 N ALA A 65 10.804 -4.904 -0.577 1.00 0.00 N ATOM 1019 CA ALA A 65 10.445 -6.132 0.125 1.00 0.00 C ATOM 1020 C ALA A 65 9.139 -5.994 0.940 1.00 0.00 C ATOM 1021 O ALA A 65 8.226 -6.810 0.790 1.00 0.00 O ATOM 1022 CB ALA A 65 11.643 -6.559 0.983 1.00 0.00 C ATOM 0 H ALA A 65 11.760 -4.605 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 65 10.227 -6.915 -0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.398 -7.476 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.507 -6.733 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.876 -5.772 1.700 1.00 0.00 H new ATOM 1028 N SER A 66 9.037 -4.968 1.795 1.00 0.00 N ATOM 1029 CA SER A 66 7.835 -4.692 2.600 1.00 0.00 C ATOM 1030 C SER A 66 6.621 -4.293 1.748 1.00 0.00 C ATOM 1031 O SER A 66 5.564 -4.907 1.899 1.00 0.00 O ATOM 1032 CB SER A 66 8.094 -3.671 3.714 1.00 0.00 C ATOM 1033 OG SER A 66 8.672 -2.462 3.255 1.00 0.00 O ATOM 0 H SER A 66 9.791 -4.299 1.950 1.00 0.00 H new ATOM 0 HA SER A 66 7.586 -5.638 3.080 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.152 -3.446 4.215 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.752 -4.118 4.459 1.00 0.00 H new ATOM 0 HG SER A 66 9.583 -2.634 2.939 1.00 0.00 H new ATOM 1039 N SER A 67 6.737 -3.300 0.854 1.00 0.00 N ATOM 1040 CA SER A 67 5.651 -2.834 -0.036 1.00 0.00 C ATOM 1041 C SER A 67 5.008 -3.958 -0.854 1.00 0.00 C ATOM 1042 O SER A 67 3.780 -4.036 -0.919 1.00 0.00 O ATOM 1043 CB SER A 67 6.058 -1.656 -0.928 1.00 0.00 C ATOM 1044 OG SER A 67 7.160 -1.954 -1.747 1.00 0.00 O ATOM 0 H SER A 67 7.607 -2.783 0.723 1.00 0.00 H new ATOM 0 HA SER A 67 4.884 -2.463 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.212 -1.369 -1.553 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.297 -0.797 -0.302 1.00 0.00 H new ATOM 0 HG SER A 67 7.928 -2.194 -1.188 1.00 0.00 H new ATOM 1050 N ARG A 68 5.789 -4.874 -1.440 1.00 0.00 N ATOM 1051 CA ARG A 68 5.223 -6.044 -2.135 1.00 0.00 C ATOM 1052 C ARG A 68 4.354 -6.869 -1.180 1.00 0.00 C ATOM 1053 O ARG A 68 3.219 -7.200 -1.519 1.00 0.00 O ATOM 1054 CB ARG A 68 6.327 -6.856 -2.835 1.00 0.00 C ATOM 1055 CG ARG A 68 6.823 -6.062 -4.055 1.00 0.00 C ATOM 1056 CD ARG A 68 7.838 -6.799 -4.931 1.00 0.00 C ATOM 1057 NE ARG A 68 9.213 -6.641 -4.436 1.00 0.00 N ATOM 1058 CZ ARG A 68 10.032 -7.549 -3.963 1.00 0.00 C ATOM 1059 NH1 ARG A 68 9.693 -8.791 -3.771 1.00 0.00 N ATOM 1060 NH2 ARG A 68 11.243 -7.210 -3.669 1.00 0.00 N ATOM 0 H ARG A 68 6.808 -4.831 -1.449 1.00 0.00 H new ATOM 0 HA ARG A 68 4.559 -5.706 -2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.151 -7.046 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.942 -7.827 -3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.964 -5.791 -4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.272 -5.132 -3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.585 -7.859 -4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.775 -6.423 -5.952 1.00 0.00 H new ATOM 0 HE ARG A 68 9.582 -5.691 -4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.747 -9.101 -3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.374 -9.454 -3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.551 -6.247 -3.806 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.892 -7.905 -3.300 1.00 0.00 H new ATOM 1074 N GLN A 69 4.846 -7.156 0.028 1.00 0.00 N ATOM 1075 CA GLN A 69 4.134 -7.885 1.087 1.00 0.00 C ATOM 1076 C GLN A 69 2.785 -7.240 1.463 1.00 0.00 C ATOM 1077 O GLN A 69 1.765 -7.928 1.426 1.00 0.00 O ATOM 1078 CB GLN A 69 5.049 -8.044 2.315 1.00 0.00 C ATOM 1079 CG GLN A 69 4.912 -9.398 3.032 1.00 0.00 C ATOM 1080 CD GLN A 69 3.593 -9.693 3.751 1.00 0.00 C ATOM 1081 OE1 GLN A 69 3.211 -10.843 3.895 1.00 0.00 O ATOM 1082 NE2 GLN A 69 2.857 -8.726 4.260 1.00 0.00 N ATOM 0 H GLN A 69 5.786 -6.878 0.308 1.00 0.00 H new ATOM 0 HA GLN A 69 3.886 -8.872 0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.085 -7.915 2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.829 -7.246 3.024 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.076 -10.185 2.296 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.717 -9.473 3.763 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.149 -7.754 4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.995 -8.949 4.758 1.00 0.00 H new ATOM 1091 N ILE A 70 2.747 -5.949 1.832 1.00 0.00 N ATOM 1092 CA ILE A 70 1.485 -5.264 2.208 1.00 0.00 C ATOM 1093 C ILE A 70 0.396 -5.397 1.135 1.00 0.00 C ATOM 1094 O ILE A 70 -0.750 -5.711 1.463 1.00 0.00 O ATOM 1095 CB ILE A 70 1.640 -3.781 2.641 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.717 -2.974 1.908 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.820 -3.696 4.160 1.00 0.00 C ATOM 1098 CD1 ILE A 70 2.757 -1.468 2.198 1.00 0.00 C ATOM 0 H ILE A 70 3.573 -5.353 1.880 1.00 0.00 H new ATOM 0 HA ILE A 70 1.167 -5.803 3.100 1.00 0.00 H new ATOM 0 HB ILE A 70 0.710 -3.299 2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.690 -3.396 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.577 -3.112 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.928 -2.652 4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.948 -4.125 4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.712 -4.250 4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.559 -1.008 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.805 -1.018 1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.935 -1.307 3.261 1.00 0.00 H new ATOM 1110 N ILE A 71 0.734 -5.181 -0.140 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.222 -5.324 -1.251 1.00 0.00 C ATOM 1112 C ILE A 71 -0.648 -6.782 -1.424 1.00 0.00 C ATOM 1113 O ILE A 71 -1.838 -7.048 -1.600 1.00 0.00 O ATOM 1114 CB ILE A 71 0.318 -4.678 -2.541 1.00 0.00 C ATOM 1115 CG1 ILE A 71 0.652 -3.189 -2.302 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -0.688 -4.797 -3.699 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -0.406 -2.399 -1.509 1.00 0.00 C ATOM 0 H ILE A 71 1.671 -4.904 -0.434 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.130 -4.774 -1.004 1.00 0.00 H new ATOM 0 HB ILE A 71 1.225 -5.216 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.602 -3.127 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.795 -2.705 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.272 -4.330 -4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.889 -5.849 -3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.617 -4.296 -3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.078 -1.366 -1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.355 -2.422 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.535 -2.850 -0.525 1.00 0.00 H new ATOM 1129 N SER A 72 0.290 -7.726 -1.304 1.00 0.00 N ATOM 1130 CA SER A 72 0.004 -9.168 -1.321 1.00 0.00 C ATOM 1131 C SER A 72 -1.077 -9.509 -0.292 1.00 0.00 C ATOM 1132 O SER A 72 -2.065 -10.162 -0.633 1.00 0.00 O ATOM 1133 CB SER A 72 1.252 -10.010 -1.034 1.00 0.00 C ATOM 1134 OG SER A 72 2.326 -9.660 -1.878 1.00 0.00 O ATOM 0 H SER A 72 1.281 -7.511 -1.191 1.00 0.00 H new ATOM 0 HA SER A 72 -0.345 -9.409 -2.325 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.549 -9.877 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.016 -11.066 -1.165 1.00 0.00 H new ATOM 0 HG SER A 72 2.756 -8.847 -1.540 1.00 0.00 H new ATOM 1140 N HIS A 73 -0.912 -9.047 0.955 1.00 0.00 N ATOM 1141 CA HIS A 73 -1.887 -9.240 2.028 1.00 0.00 C ATOM 1142 C HIS A 73 -3.235 -8.618 1.650 1.00 0.00 C ATOM 1143 O HIS A 73 -4.223 -9.343 1.565 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.375 -8.688 3.370 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.288 -9.021 4.536 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -1.984 -9.877 5.567 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.570 -8.573 4.753 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -3.060 -9.962 6.373 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -4.059 -9.184 5.918 1.00 0.00 N ATOM 0 H HIS A 73 -0.087 -8.523 1.247 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.030 -10.313 2.158 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.382 -9.091 3.567 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.271 -7.606 3.295 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -1.097 -10.364 5.699 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.108 -7.871 4.133 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.113 -10.571 7.263 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.290 -7.298 1.428 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.532 -6.574 1.131 1.00 0.00 C ATOM 1159 C TRP A 74 -5.351 -7.159 -0.032 1.00 0.00 C ATOM 1160 O TRP A 74 -6.577 -7.262 0.058 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.265 -5.073 0.940 1.00 0.00 C ATOM 1162 CG TRP A 74 -5.506 -4.245 1.086 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -6.306 -4.274 2.175 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.145 -3.320 0.147 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -7.413 -3.481 1.966 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.366 -2.871 0.737 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -5.841 -2.809 -1.136 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.242 -1.990 0.097 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -6.700 -1.887 -1.773 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -7.902 -1.482 -1.159 1.00 0.00 C ATOM 0 H TRP A 74 -2.466 -6.698 1.450 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.163 -6.708 2.009 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.525 -4.744 1.669 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.836 -4.907 -0.048 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.107 -4.836 3.076 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.171 -3.362 2.638 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.939 -3.129 -1.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.171 -1.705 0.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.433 -1.488 -2.741 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.557 -0.782 -1.657 1.00 0.00 H new ATOM 1181 N LYS A 75 -4.690 -7.558 -1.126 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.318 -8.176 -2.308 1.00 0.00 C ATOM 1183 C LYS A 75 -5.990 -9.519 -1.973 1.00 0.00 C ATOM 1184 O LYS A 75 -7.113 -9.772 -2.410 1.00 0.00 O ATOM 1185 CB LYS A 75 -4.260 -8.312 -3.413 1.00 0.00 C ATOM 1186 CG LYS A 75 -4.858 -8.509 -4.816 1.00 0.00 C ATOM 1187 CD LYS A 75 -3.705 -8.644 -5.818 1.00 0.00 C ATOM 1188 CE LYS A 75 -4.104 -8.452 -7.288 1.00 0.00 C ATOM 1189 NZ LYS A 75 -4.685 -9.676 -7.896 1.00 0.00 N ATOM 0 H LYS A 75 -3.679 -7.459 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.123 -7.533 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.633 -7.420 -3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.611 -9.157 -3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.487 -9.399 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.493 -7.663 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.936 -7.913 -5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.257 -9.631 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.827 -7.639 -7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.227 -8.150 -7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.373 -9.754 -8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.366 -10.512 -7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.723 -9.621 -7.864 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.309 -10.376 -1.207 1.00 0.00 N ATOM 1204 CA ASN A 76 -5.794 -11.692 -0.770 1.00 0.00 C ATOM 1205 C ASN A 76 -6.866 -11.618 0.335 1.00 0.00 C ATOM 1206 O ASN A 76 -7.888 -12.302 0.245 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.607 -12.562 -0.329 1.00 0.00 C ATOM 1208 CG ASN A 76 -3.883 -13.160 -1.524 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -4.277 -14.180 -2.072 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -2.824 -12.539 -1.988 1.00 0.00 N ATOM 0 H ASN A 76 -4.372 -10.167 -0.861 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.288 -12.150 -1.627 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.911 -11.961 0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.962 -13.362 0.321 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.333 -12.907 -2.803 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.492 -11.688 -1.534 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.622 -10.837 1.388 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.486 -10.690 2.556 1.00 0.00 C ATOM 1219 C CYS A 77 -8.868 -10.086 2.216 1.00 0.00 C ATOM 1220 O CYS A 77 -8.993 -8.982 1.673 1.00 0.00 O ATOM 1221 CB CYS A 77 -6.728 -9.865 3.612 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.487 -10.010 5.267 1.00 0.00 S ATOM 0 H CYS A 77 -5.780 -10.265 1.451 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.714 -11.678 2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.692 -10.199 3.658 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.712 -8.818 3.311 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.503 -8.844 5.841 1.00 0.00 H new ATOM 1227 N THR A 78 -9.915 -10.842 2.555 1.00 0.00 N ATOM 1228 CA THR A 78 -11.343 -10.504 2.382 1.00 0.00 C ATOM 1229 C THR A 78 -12.149 -10.835 3.651 1.00 0.00 C ATOM 1230 O THR A 78 -13.374 -10.992 3.603 1.00 0.00 O ATOM 1231 CB THR A 78 -11.940 -11.214 1.144 1.00 0.00 C ATOM 1232 OG1 THR A 78 -11.697 -12.612 1.164 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.369 -10.667 -0.166 1.00 0.00 C ATOM 0 H THR A 78 -9.789 -11.760 2.982 1.00 0.00 H new ATOM 0 HA THR A 78 -11.411 -9.429 2.214 1.00 0.00 H new ATOM 0 HB THR A 78 -13.011 -11.020 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.091 -13.024 0.367 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.817 -11.196 -1.007 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.593 -9.603 -0.245 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.289 -10.812 -0.181 1.00 0.00 H new ATOM 1241 N ARG A 79 -11.464 -10.934 4.800 1.00 0.00 N ATOM 1242 CA ARG A 79 -12.013 -11.258 6.126 1.00 0.00 C ATOM 1243 C ARG A 79 -13.064 -10.248 6.598 1.00 0.00 C ATOM 1244 O ARG A 79 -12.996 -9.063 6.261 1.00 0.00 O ATOM 1245 CB ARG A 79 -10.840 -11.356 7.127 1.00 0.00 C ATOM 1246 CG ARG A 79 -11.236 -12.049 8.439 1.00 0.00 C ATOM 1247 CD ARG A 79 -10.013 -12.444 9.280 1.00 0.00 C ATOM 1248 NE ARG A 79 -10.397 -13.276 10.442 1.00 0.00 N ATOM 1249 CZ ARG A 79 -10.900 -12.872 11.596 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -11.083 -11.616 11.866 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -11.244 -13.735 12.509 1.00 0.00 N ATOM 0 H ARG A 79 -10.456 -10.782 4.831 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.535 -12.213 6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.019 -11.904 6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.471 -10.354 7.347 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.875 -11.384 9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.823 -12.940 8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.304 -12.991 8.658 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.504 -11.545 9.628 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.257 -14.281 10.340 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.836 -10.905 11.177 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.473 -11.340 12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.126 -14.734 12.337 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.631 -13.412 13.396 1.00 0.00 H new ATOM 1265 N HIS A 80 -14.013 -10.714 7.421 1.00 0.00 N ATOM 1266 CA HIS A 80 -15.057 -9.880 8.046 1.00 0.00 C ATOM 1267 C HIS A 80 -14.460 -8.718 8.864 1.00 0.00 C ATOM 1268 O HIS A 80 -15.047 -7.639 8.907 1.00 0.00 O ATOM 1269 CB HIS A 80 -16.037 -10.752 8.851 1.00 0.00 C ATOM 1270 CG HIS A 80 -15.422 -11.500 10.010 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -15.085 -12.842 10.035 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -15.134 -10.965 11.234 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -14.582 -13.112 11.258 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -14.599 -11.983 12.000 1.00 0.00 N ATOM 0 H HIS A 80 -14.081 -11.699 7.678 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.634 -9.404 7.253 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -16.837 -10.117 9.232 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.497 -11.473 8.176 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.294 -9.943 11.543 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -14.224 -14.075 11.590 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -14.272 -11.897 12.962 1.00 0.00 H new ATOM 1283 N ASP A 81 -13.283 -8.919 9.469 1.00 0.00 N ATOM 1284 CA ASP A 81 -12.492 -7.893 10.158 1.00 0.00 C ATOM 1285 C ASP A 81 -10.977 -8.210 10.133 1.00 0.00 C ATOM 1286 O ASP A 81 -10.569 -9.341 10.407 1.00 0.00 O ATOM 1287 CB ASP A 81 -13.004 -7.632 11.593 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.365 -8.503 12.695 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -12.872 -9.617 12.974 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -11.379 -8.046 13.322 1.00 0.00 O ATOM 0 H ASP A 81 -12.839 -9.837 9.493 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.629 -6.967 9.600 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.831 -6.584 11.837 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.082 -7.789 11.610 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.159 -7.202 9.822 1.00 0.00 N ATOM 1296 CA CYS A 82 -8.692 -7.184 9.851 1.00 0.00 C ATOM 1297 C CYS A 82 -8.329 -5.716 10.207 1.00 0.00 C ATOM 1298 O CYS A 82 -9.040 -4.807 9.755 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.141 -7.605 8.473 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.523 -8.460 8.493 1.00 0.00 S ATOM 0 H CYS A 82 -10.535 -6.304 9.519 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.261 -7.879 10.572 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.871 -8.258 7.995 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.053 -6.715 7.850 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.420 -9.219 7.442 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.288 -5.430 11.010 1.00 0.00 N ATOM 1306 CA PRO A 83 -6.958 -4.072 11.471 1.00 0.00 C ATOM 1307 C PRO A 83 -6.577 -3.035 10.393 1.00 0.00 C ATOM 1308 O PRO A 83 -6.305 -1.883 10.744 1.00 0.00 O ATOM 1309 CB PRO A 83 -5.839 -4.264 12.506 1.00 0.00 C ATOM 1310 CG PRO A 83 -5.187 -5.576 12.078 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.383 -6.394 11.613 1.00 0.00 C ATOM 0 HA PRO A 83 -7.862 -3.619 11.878 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.129 -3.437 12.489 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.235 -4.323 13.520 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.460 -5.428 11.279 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.661 -6.057 12.903 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.084 -7.157 10.894 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.856 -6.911 12.448 1.00 0.00 H new ATOM 1319 N VAL A 84 -6.567 -3.387 9.102 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.268 -2.459 7.992 1.00 0.00 C ATOM 1321 C VAL A 84 -7.221 -2.703 6.822 1.00 0.00 C ATOM 1322 O VAL A 84 -7.825 -1.765 6.301 1.00 0.00 O ATOM 1323 CB VAL A 84 -4.812 -2.544 7.487 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.408 -1.158 6.970 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -3.815 -2.998 8.550 1.00 0.00 C ATOM 0 H VAL A 84 -6.769 -4.337 8.789 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.408 -1.457 8.398 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.781 -3.300 6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.381 -1.190 6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.072 -0.865 6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.484 -0.432 7.779 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.814 -3.033 8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.827 -2.296 9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.091 -3.990 8.907 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.361 -3.962 6.412 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.207 -4.428 5.327 1.00 0.00 C ATOM 1337 C CYS A 85 -9.656 -3.940 5.475 1.00 0.00 C ATOM 1338 O CYS A 85 -10.195 -3.340 4.547 1.00 0.00 O ATOM 1339 CB CYS A 85 -8.101 -5.960 5.263 1.00 0.00 C ATOM 1340 SG CYS A 85 -6.364 -6.521 5.423 1.00 0.00 S ATOM 0 H CYS A 85 -6.854 -4.726 6.859 1.00 0.00 H new ATOM 0 HA CYS A 85 -7.863 -4.006 4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.701 -6.401 6.059 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.513 -6.315 4.319 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.239 -7.244 6.496 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.272 -4.183 6.640 1.00 0.00 N ATOM 1346 CA LEU A 86 -11.640 -3.773 6.961 1.00 0.00 C ATOM 1347 C LEU A 86 -11.902 -2.267 6.732 1.00 0.00 C ATOM 1348 O LEU A 86 -12.744 -1.974 5.882 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.029 -4.303 8.356 1.00 0.00 C ATOM 1350 CG LEU A 86 -13.512 -4.197 8.762 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -13.941 -2.783 9.158 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -14.443 -4.740 7.679 1.00 0.00 C ATOM 0 H LEU A 86 -9.818 -4.684 7.404 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.321 -4.238 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -11.738 -5.352 8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.437 -3.768 9.098 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.602 -4.821 9.651 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.996 -2.786 9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.347 -2.447 10.008 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -13.786 -2.107 8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.478 -4.645 8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.301 -4.173 6.759 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.215 -5.790 7.496 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.241 -1.304 7.417 1.00 0.00 N ATOM 1365 CA PRO A 87 -11.493 0.127 7.202 1.00 0.00 C ATOM 1366 C PRO A 87 -11.292 0.589 5.745 1.00 0.00 C ATOM 1367 O PRO A 87 -12.015 1.468 5.276 1.00 0.00 O ATOM 1368 CB PRO A 87 -10.608 0.878 8.203 1.00 0.00 C ATOM 1369 CG PRO A 87 -9.531 -0.126 8.598 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.239 -1.475 8.462 1.00 0.00 C ATOM 0 HA PRO A 87 -12.546 0.348 7.376 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.172 1.770 7.754 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.181 1.205 9.070 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -8.661 -0.061 7.944 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.178 0.042 9.616 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.532 -2.261 8.198 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -10.704 -1.767 9.403 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.343 0.003 5.008 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.103 0.282 3.583 1.00 0.00 C ATOM 1380 C LEU A 88 -11.243 -0.264 2.698 1.00 0.00 C ATOM 1381 O LEU A 88 -11.749 0.456 1.835 1.00 0.00 O ATOM 1382 CB LEU A 88 -8.730 -0.271 3.187 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.553 0.473 3.845 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.280 -0.324 3.587 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.370 1.881 3.271 1.00 0.00 C ATOM 0 H LEU A 88 -9.705 -0.694 5.391 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.096 1.360 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.680 -1.325 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.624 -0.216 2.104 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.762 0.568 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.432 0.186 4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.381 -1.320 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.115 -0.409 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.529 2.369 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.174 1.815 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.276 2.463 3.439 1.00 0.00 H new ATOM 1397 N LYS A 89 -11.669 -1.515 2.923 1.00 0.00 N ATOM 1398 CA LYS A 89 -12.790 -2.192 2.242 1.00 0.00 C ATOM 1399 C LYS A 89 -14.107 -1.435 2.470 1.00 0.00 C ATOM 1400 O LYS A 89 -14.791 -1.062 1.516 1.00 0.00 O ATOM 1401 CB LYS A 89 -12.881 -3.645 2.750 1.00 0.00 C ATOM 1402 CG LYS A 89 -13.988 -4.465 2.069 1.00 0.00 C ATOM 1403 CD LYS A 89 -14.229 -5.773 2.835 1.00 0.00 C ATOM 1404 CE LYS A 89 -15.268 -6.634 2.107 1.00 0.00 C ATOM 1405 NZ LYS A 89 -15.564 -7.887 2.853 1.00 0.00 N ATOM 0 H LYS A 89 -11.222 -2.114 3.617 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.610 -2.202 1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.923 -4.139 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.057 -3.635 3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.909 -3.883 2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.706 -4.685 1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.293 -6.324 2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.574 -5.552 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.187 -6.063 1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.902 -6.881 1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.270 -8.443 2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.692 -8.444 2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.937 -7.651 3.795 1.00 0.00 H new ATOM 1731 N GLY B 114 8.655 8.400 11.378 1.00 0.00 N ATOM 1732 CA GLY B 114 8.750 8.855 9.983 1.00 0.00 C ATOM 1733 C GLY B 114 8.351 7.725 9.033 1.00 0.00 C ATOM 1734 O GLY B 114 7.166 7.421 8.895 1.00 0.00 O ATOM 0 HA2 GLY B 114 8.101 9.717 9.828 1.00 0.00 H new ATOM 0 HA3 GLY B 114 9.768 9.180 9.767 1.00 0.00 H new ATOM 1738 N LEU B 115 9.346 7.061 8.444 1.00 0.00 N ATOM 1739 CA LEU B 115 9.211 5.844 7.636 1.00 0.00 C ATOM 1740 C LEU B 115 10.249 4.819 8.136 1.00 0.00 C ATOM 1741 O LEU B 115 11.425 5.171 8.288 1.00 0.00 O ATOM 1742 CB LEU B 115 9.391 6.107 6.128 1.00 0.00 C ATOM 1743 CG LEU B 115 8.085 6.228 5.321 1.00 0.00 C ATOM 1744 CD1 LEU B 115 8.457 6.448 3.855 1.00 0.00 C ATOM 1745 CD2 LEU B 115 7.200 4.980 5.359 1.00 0.00 C ATOM 0 H LEU B 115 10.315 7.370 8.520 1.00 0.00 H new ATOM 0 HA LEU B 115 8.198 5.459 7.755 1.00 0.00 H new ATOM 0 HB2 LEU B 115 9.963 7.026 6.002 1.00 0.00 H new ATOM 0 HB3 LEU B 115 9.988 5.299 5.704 1.00 0.00 H new ATOM 0 HG LEU B 115 7.524 7.048 5.770 1.00 0.00 H new ATOM 0 HD11 LEU B 115 7.549 6.537 3.259 1.00 0.00 H new ATOM 0 HD12 LEU B 115 9.044 7.362 3.762 1.00 0.00 H new ATOM 0 HD13 LEU B 115 9.044 5.602 3.498 1.00 0.00 H new ATOM 0 HD21 LEU B 115 6.302 5.152 4.765 1.00 0.00 H new ATOM 0 HD22 LEU B 115 7.749 4.132 4.949 1.00 0.00 H new ATOM 0 HD23 LEU B 115 6.918 4.766 6.390 1.00 0.00 H new ATOM 1757 N PRO B 116 9.840 3.567 8.402 1.00 0.00 N ATOM 1758 CA PRO B 116 10.725 2.519 8.900 1.00 0.00 C ATOM 1759 C PRO B 116 11.520 1.853 7.764 1.00 0.00 C ATOM 1760 O PRO B 116 11.433 2.235 6.593 1.00 0.00 O ATOM 1761 CB PRO B 116 9.751 1.528 9.554 1.00 0.00 C ATOM 1762 CG PRO B 116 8.574 1.561 8.580 1.00 0.00 C ATOM 1763 CD PRO B 116 8.486 3.043 8.249 1.00 0.00 C ATOM 0 HA PRO B 116 11.484 2.896 9.585 1.00 0.00 H new ATOM 0 HB2 PRO B 116 10.181 0.530 9.643 1.00 0.00 H new ATOM 0 HB3 PRO B 116 9.461 1.841 10.557 1.00 0.00 H new ATOM 0 HG2 PRO B 116 8.760 0.954 7.694 1.00 0.00 H new ATOM 0 HG3 PRO B 116 7.656 1.188 9.035 1.00 0.00 H new ATOM 0 HD2 PRO B 116 8.120 3.196 7.234 1.00 0.00 H new ATOM 0 HD3 PRO B 116 7.792 3.552 8.918 1.00 0.00 H new ATOM 1771 N GLN B 117 12.242 0.789 8.120 1.00 0.00 N ATOM 1772 CA GLN B 117 12.947 -0.110 7.203 1.00 0.00 C ATOM 1773 C GLN B 117 12.434 -1.536 7.438 1.00 0.00 C ATOM 1774 O GLN B 117 13.179 -2.462 7.770 1.00 0.00 O ATOM 1775 CB GLN B 117 14.473 0.042 7.332 1.00 0.00 C ATOM 1776 CG GLN B 117 14.957 1.332 6.660 1.00 0.00 C ATOM 1777 CD GLN B 117 16.464 1.526 6.824 1.00 0.00 C ATOM 1778 OE1 GLN B 117 16.937 2.236 7.702 1.00 0.00 O ATOM 1779 NE2 GLN B 117 17.277 0.909 5.990 1.00 0.00 N ATOM 0 H GLN B 117 12.357 0.518 9.097 1.00 0.00 H new ATOM 0 HA GLN B 117 12.736 0.151 6.166 1.00 0.00 H new ATOM 0 HB2 GLN B 117 14.753 0.050 8.385 1.00 0.00 H new ATOM 0 HB3 GLN B 117 14.967 -0.816 6.877 1.00 0.00 H new ATOM 0 HG2 GLN B 117 14.707 1.305 5.599 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.432 2.185 7.090 1.00 0.00 H new ATOM 0 HE21 GLN B 117 16.897 0.314 5.254 1.00 0.00 H new ATOM 0 HE22 GLN B 117 18.286 1.026 6.081 1.00 0.00 H new ATOM 1788 N LEU B 118 11.122 -1.692 7.227 1.00 0.00 N ATOM 1789 CA LEU B 118 10.425 -2.975 7.283 1.00 0.00 C ATOM 1790 C LEU B 118 10.905 -3.856 6.124 1.00 0.00 C ATOM 1791 O LEU B 118 11.379 -3.360 5.101 1.00 0.00 O ATOM 1792 CB LEU B 118 8.905 -2.748 7.178 1.00 0.00 C ATOM 1793 CG LEU B 118 8.264 -2.128 8.429 1.00 0.00 C ATOM 1794 CD1 LEU B 118 6.835 -1.701 8.107 1.00 0.00 C ATOM 1795 CD2 LEU B 118 8.225 -3.110 9.597 1.00 0.00 C ATOM 0 H LEU B 118 10.505 -0.910 7.008 1.00 0.00 H new ATOM 0 HA LEU B 118 10.641 -3.470 8.230 1.00 0.00 H new ATOM 0 HB2 LEU B 118 8.706 -2.100 6.324 1.00 0.00 H new ATOM 0 HB3 LEU B 118 8.421 -3.703 6.973 1.00 0.00 H new ATOM 0 HG LEU B 118 8.872 -1.272 8.719 1.00 0.00 H new ATOM 0 HD11 LEU B 118 6.378 -1.261 8.993 1.00 0.00 H new ATOM 0 HD12 LEU B 118 6.847 -0.966 7.302 1.00 0.00 H new ATOM 0 HD13 LEU B 118 6.257 -2.571 7.795 1.00 0.00 H new ATOM 0 HD21 LEU B 118 7.764 -2.630 10.460 1.00 0.00 H new ATOM 0 HD22 LEU B 118 7.643 -3.987 9.315 1.00 0.00 H new ATOM 0 HD23 LEU B 118 9.240 -3.415 9.850 1.00 0.00 H new ATOM 1807 N THR B 119 10.766 -5.166 6.275 1.00 0.00 N ATOM 1808 CA THR B 119 11.173 -6.161 5.277 1.00 0.00 C ATOM 1809 C THR B 119 10.028 -7.120 4.972 1.00 0.00 C ATOM 1810 O THR B 119 9.009 -7.142 5.669 1.00 0.00 O ATOM 1811 CB THR B 119 12.410 -6.942 5.758 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.115 -7.650 6.947 1.00 0.00 O ATOM 1813 CG2 THR B 119 13.611 -6.018 6.006 1.00 0.00 C ATOM 0 H THR B 119 10.358 -5.582 7.112 1.00 0.00 H new ATOM 0 HA THR B 119 11.434 -5.632 4.361 1.00 0.00 H new ATOM 0 HB THR B 119 12.674 -7.642 4.965 1.00 0.00 H new ATOM 0 HG1 THR B 119 12.910 -8.143 7.240 1.00 0.00 H new ATOM 0 HG21 THR B 119 14.462 -6.610 6.344 1.00 0.00 H new ATOM 0 HG22 THR B 119 13.871 -5.504 5.081 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.354 -5.284 6.769 1.00 0.00 H new ATOM 1821 N SER B 120 10.206 -7.946 3.941 1.00 0.00 N ATOM 1822 CA SER B 120 9.270 -9.010 3.563 1.00 0.00 C ATOM 1823 C SER B 120 9.041 -9.932 4.765 1.00 0.00 C ATOM 1824 O SER B 120 7.895 -10.154 5.146 1.00 0.00 O ATOM 1825 CB SER B 120 9.802 -9.772 2.345 1.00 0.00 C ATOM 1826 OG SER B 120 11.193 -10.026 2.503 1.00 0.00 O ATOM 0 H SER B 120 11.022 -7.895 3.331 1.00 0.00 H new ATOM 0 HA SER B 120 8.309 -8.581 3.279 1.00 0.00 H new ATOM 0 HB2 SER B 120 9.263 -10.712 2.229 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.630 -9.192 1.438 1.00 0.00 H new ATOM 0 HG SER B 120 11.592 -10.215 1.628 1.00 0.00 H new ATOM 1832 N TYR B 121 10.119 -10.400 5.409 1.00 0.00 N ATOM 1833 CA TYR B 121 10.082 -11.210 6.631 1.00 0.00 C ATOM 1834 C TYR B 121 9.232 -10.558 7.739 1.00 0.00 C ATOM 1835 O TYR B 121 8.286 -11.179 8.223 1.00 0.00 O ATOM 1836 CB TYR B 121 11.509 -11.494 7.128 1.00 0.00 C ATOM 1837 CG TYR B 121 11.545 -12.355 8.381 1.00 0.00 C ATOM 1838 CD1 TYR B 121 11.442 -11.758 9.654 1.00 0.00 C ATOM 1839 CD2 TYR B 121 11.626 -13.757 8.271 1.00 0.00 C ATOM 1840 CE1 TYR B 121 11.387 -12.559 10.811 1.00 0.00 C ATOM 1841 CE2 TYR B 121 11.598 -14.562 9.427 1.00 0.00 C ATOM 1842 CZ TYR B 121 11.472 -13.964 10.701 1.00 0.00 C ATOM 1843 OH TYR B 121 11.420 -14.735 11.823 1.00 0.00 O ATOM 0 H TYR B 121 11.068 -10.219 5.083 1.00 0.00 H new ATOM 0 HA TYR B 121 9.601 -12.156 6.381 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.070 -11.991 6.337 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.012 -10.548 7.330 1.00 0.00 H new ATOM 0 HD1 TYR B 121 11.405 -10.682 9.742 1.00 0.00 H new ATOM 0 HD2 TYR B 121 11.710 -14.216 7.297 1.00 0.00 H new ATOM 0 HE1 TYR B 121 11.280 -12.099 11.782 1.00 0.00 H new ATOM 0 HE2 TYR B 121 11.673 -15.636 9.339 1.00 0.00 H new ATOM 0 HH TYR B 121 11.491 -15.680 11.574 1.00 0.00 H new ATOM 1853 N ASP B 122 9.546 -9.317 8.140 1.00 0.00 N ATOM 1854 CA ASP B 122 8.801 -8.589 9.183 1.00 0.00 C ATOM 1855 C ASP B 122 7.300 -8.517 8.864 1.00 0.00 C ATOM 1856 O ASP B 122 6.461 -8.834 9.712 1.00 0.00 O ATOM 1857 CB ASP B 122 9.360 -7.167 9.381 1.00 0.00 C ATOM 1858 CG ASP B 122 10.646 -7.093 10.226 1.00 0.00 C ATOM 1859 OD1 ASP B 122 10.888 -7.983 11.076 1.00 0.00 O ATOM 1860 OD2 ASP B 122 11.387 -6.090 10.086 1.00 0.00 O ATOM 0 H ASP B 122 10.325 -8.787 7.750 1.00 0.00 H new ATOM 0 HA ASP B 122 8.929 -9.149 10.109 1.00 0.00 H new ATOM 0 HB2 ASP B 122 9.559 -6.730 8.402 1.00 0.00 H new ATOM 0 HB3 ASP B 122 8.594 -6.553 9.855 1.00 0.00 H new ATOM 1865 N CYS B 123 6.961 -8.109 7.641 1.00 0.00 N ATOM 1866 CA CYS B 123 5.587 -7.994 7.163 1.00 0.00 C ATOM 1867 C CYS B 123 4.862 -9.357 7.138 1.00 0.00 C ATOM 1868 O CYS B 123 3.749 -9.455 7.649 1.00 0.00 O ATOM 1869 CB CYS B 123 5.582 -7.265 5.817 1.00 0.00 C ATOM 1870 SG CYS B 123 6.244 -5.585 5.999 1.00 0.00 S ATOM 0 H CYS B 123 7.652 -7.843 6.940 1.00 0.00 H new ATOM 0 HA CYS B 123 5.008 -7.394 7.865 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.179 -7.821 5.094 1.00 0.00 H new ATOM 0 HB3 CYS B 123 4.566 -7.221 5.425 1.00 0.00 H new ATOM 0 HG CYS B 123 7.543 -5.623 5.956 1.00 0.00 H new ATOM 1876 N GLU B 124 5.488 -10.413 6.603 1.00 0.00 N ATOM 1877 CA GLU B 124 4.967 -11.793 6.591 1.00 0.00 C ATOM 1878 C GLU B 124 4.626 -12.273 8.010 1.00 0.00 C ATOM 1879 O GLU B 124 3.540 -12.797 8.250 1.00 0.00 O ATOM 1880 CB GLU B 124 5.989 -12.768 5.976 1.00 0.00 C ATOM 1881 CG GLU B 124 6.049 -12.767 4.444 1.00 0.00 C ATOM 1882 CD GLU B 124 7.185 -13.682 3.959 1.00 0.00 C ATOM 1883 OE1 GLU B 124 7.068 -14.923 4.108 1.00 0.00 O ATOM 1884 OE2 GLU B 124 8.208 -13.183 3.439 1.00 0.00 O ATOM 0 H GLU B 124 6.399 -10.332 6.152 1.00 0.00 H new ATOM 0 HA GLU B 124 4.062 -11.782 5.984 1.00 0.00 H new ATOM 0 HB2 GLU B 124 6.978 -12.524 6.363 1.00 0.00 H new ATOM 0 HB3 GLU B 124 5.754 -13.777 6.314 1.00 0.00 H new ATOM 0 HG2 GLU B 124 5.098 -13.107 4.035 1.00 0.00 H new ATOM 0 HG3 GLU B 124 6.208 -11.752 4.079 1.00 0.00 H new ATOM 1891 N VAL B 125 5.559 -12.096 8.951 1.00 0.00 N ATOM 1892 CA VAL B 125 5.443 -12.460 10.372 1.00 0.00 C ATOM 1893 C VAL B 125 4.279 -11.740 11.064 1.00 0.00 C ATOM 1894 O VAL B 125 3.473 -12.373 11.747 1.00 0.00 O ATOM 1895 CB VAL B 125 6.793 -12.187 11.072 1.00 0.00 C ATOM 1896 CG1 VAL B 125 6.724 -12.059 12.599 1.00 0.00 C ATOM 1897 CG2 VAL B 125 7.771 -13.316 10.732 1.00 0.00 C ATOM 0 H VAL B 125 6.462 -11.674 8.734 1.00 0.00 H new ATOM 0 HA VAL B 125 5.213 -13.523 10.445 1.00 0.00 H new ATOM 0 HB VAL B 125 7.121 -11.217 10.698 1.00 0.00 H new ATOM 0 HG11 VAL B 125 7.722 -11.868 12.994 1.00 0.00 H new ATOM 0 HG12 VAL B 125 6.065 -11.233 12.865 1.00 0.00 H new ATOM 0 HG13 VAL B 125 6.336 -12.985 13.025 1.00 0.00 H new ATOM 0 HG21 VAL B 125 8.726 -13.130 11.223 1.00 0.00 H new ATOM 0 HG22 VAL B 125 7.364 -14.266 11.078 1.00 0.00 H new ATOM 0 HG23 VAL B 125 7.919 -13.356 9.653 1.00 0.00 H new ATOM 1907 N ASN B 126 4.205 -10.414 10.927 1.00 0.00 N ATOM 1908 CA ASN B 126 3.199 -9.571 11.582 1.00 0.00 C ATOM 1909 C ASN B 126 1.800 -9.630 10.935 1.00 0.00 C ATOM 1910 O ASN B 126 0.805 -9.517 11.656 1.00 0.00 O ATOM 1911 CB ASN B 126 3.745 -8.139 11.674 1.00 0.00 C ATOM 1912 CG ASN B 126 4.806 -8.008 12.754 1.00 0.00 C ATOM 1913 OD1 ASN B 126 4.527 -7.666 13.891 1.00 0.00 O ATOM 1914 ND2 ASN B 126 6.048 -8.320 12.466 1.00 0.00 N ATOM 0 H ASN B 126 4.855 -9.885 10.346 1.00 0.00 H new ATOM 0 HA ASN B 126 3.032 -9.968 12.583 1.00 0.00 H new ATOM 0 HB2 ASN B 126 4.168 -7.849 10.712 1.00 0.00 H new ATOM 0 HB3 ASN B 126 2.926 -7.451 11.883 1.00 0.00 H new ATOM 0 HD21 ASN B 126 6.766 -8.275 13.189 1.00 0.00 H new ATOM 0 HD22 ASN B 126 6.295 -8.608 11.519 1.00 0.00 H new ATOM 1921 N ALA B 127 1.705 -9.790 9.612 1.00 0.00 N ATOM 1922 CA ALA B 127 0.450 -9.865 8.857 1.00 0.00 C ATOM 1923 C ALA B 127 0.524 -10.897 7.696 1.00 0.00 C ATOM 1924 O ALA B 127 0.660 -10.510 6.528 1.00 0.00 O ATOM 1925 CB ALA B 127 0.096 -8.447 8.382 1.00 0.00 C ATOM 0 H ALA B 127 2.528 -9.874 9.016 1.00 0.00 H new ATOM 0 HA ALA B 127 -0.350 -10.234 9.500 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.835 -8.475 7.817 1.00 0.00 H new ATOM 0 HB2 ALA B 127 -0.023 -7.793 9.246 1.00 0.00 H new ATOM 0 HB3 ALA B 127 0.895 -8.066 7.746 1.00 0.00 H new ATOM 1931 N PRO B 128 0.414 -12.212 7.983 1.00 0.00 N ATOM 1932 CA PRO B 128 0.457 -13.277 6.974 1.00 0.00 C ATOM 1933 C PRO B 128 -0.610 -13.141 5.877 1.00 0.00 C ATOM 1934 O PRO B 128 -1.798 -12.963 6.160 1.00 0.00 O ATOM 1935 CB PRO B 128 0.265 -14.595 7.742 1.00 0.00 C ATOM 1936 CG PRO B 128 0.639 -14.260 9.183 1.00 0.00 C ATOM 1937 CD PRO B 128 0.255 -12.788 9.313 1.00 0.00 C ATOM 0 HA PRO B 128 1.408 -13.229 6.444 1.00 0.00 H new ATOM 0 HB2 PRO B 128 -0.764 -14.948 7.672 1.00 0.00 H new ATOM 0 HB3 PRO B 128 0.901 -15.384 7.341 1.00 0.00 H new ATOM 0 HG2 PRO B 128 0.096 -14.882 9.894 1.00 0.00 H new ATOM 0 HG3 PRO B 128 1.701 -14.416 9.370 1.00 0.00 H new ATOM 0 HD2 PRO B 128 -0.772 -12.682 9.664 1.00 0.00 H new ATOM 0 HD3 PRO B 128 0.893 -12.281 10.037 1.00 0.00 H new ATOM 1945 N ILE B 129 -0.187 -13.262 4.614 1.00 0.00 N ATOM 1946 CA ILE B 129 -1.070 -13.231 3.436 1.00 0.00 C ATOM 1947 C ILE B 129 -2.032 -14.427 3.509 1.00 0.00 C ATOM 1948 O ILE B 129 -1.601 -15.566 3.714 1.00 0.00 O ATOM 1949 CB ILE B 129 -0.245 -13.305 2.131 1.00 0.00 C ATOM 1950 CG1 ILE B 129 0.791 -12.169 2.004 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -1.159 -13.269 0.894 1.00 0.00 C ATOM 1952 CD1 ILE B 129 2.019 -12.599 1.193 1.00 0.00 C ATOM 0 H ILE B 129 0.797 -13.387 4.374 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.630 -12.296 3.432 1.00 0.00 H new ATOM 0 HB ILE B 129 0.291 -14.253 2.180 1.00 0.00 H new ATOM 0 HG12 ILE B 129 0.326 -11.306 1.527 1.00 0.00 H new ATOM 0 HG13 ILE B 129 1.106 -11.853 2.998 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -0.551 -13.322 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -1.843 -14.117 0.922 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -1.732 -12.342 0.892 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.722 -11.768 1.129 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.501 -13.445 1.683 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.709 -12.890 0.189 1.00 0.00 H new ATOM 1964 N GLN B 130 -3.333 -14.174 3.346 1.00 0.00 N ATOM 1965 CA GLN B 130 -4.359 -15.223 3.398 1.00 0.00 C ATOM 1966 C GLN B 130 -4.200 -16.234 2.247 1.00 0.00 C ATOM 1967 O GLN B 130 -3.839 -15.879 1.120 1.00 0.00 O ATOM 1968 CB GLN B 130 -5.762 -14.601 3.405 1.00 0.00 C ATOM 1969 CG GLN B 130 -5.981 -13.613 4.562 1.00 0.00 C ATOM 1970 CD GLN B 130 -5.754 -14.235 5.943 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -6.603 -14.937 6.482 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -4.611 -14.035 6.571 1.00 0.00 N ATOM 0 H GLN B 130 -3.706 -13.240 3.175 1.00 0.00 H new ATOM 0 HA GLN B 130 -4.225 -15.776 4.327 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -5.928 -14.085 2.459 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -6.505 -15.396 3.470 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -5.308 -12.765 4.438 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -6.998 -13.223 4.510 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -3.889 -13.455 6.144 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -4.449 -14.460 7.484 1.00 0.00 H new ATOM 2037 N LEU B 135 4.871 -12.916 -2.881 1.00 0.00 N ATOM 2038 CA LEU B 135 5.101 -11.484 -3.095 1.00 0.00 C ATOM 2039 C LEU B 135 4.576 -11.023 -4.468 1.00 0.00 C ATOM 2040 O LEU B 135 5.153 -11.333 -5.513 1.00 0.00 O ATOM 2041 CB LEU B 135 6.592 -11.157 -2.886 1.00 0.00 C ATOM 2042 CG LEU B 135 7.095 -11.452 -1.458 1.00 0.00 C ATOM 2043 CD1 LEU B 135 8.584 -11.126 -1.358 1.00 0.00 C ATOM 2044 CD2 LEU B 135 6.381 -10.622 -0.386 1.00 0.00 C ATOM 0 HA LEU B 135 4.531 -10.920 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU B 135 7.185 -11.733 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU B 135 6.759 -10.104 -3.111 1.00 0.00 H new ATOM 0 HG LEU B 135 6.891 -12.508 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU B 135 8.935 -11.336 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU B 135 9.139 -11.738 -2.069 1.00 0.00 H new ATOM 0 HD13 LEU B 135 8.742 -10.072 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU B 135 6.780 -10.876 0.596 1.00 0.00 H new ATOM 0 HD22 LEU B 135 6.542 -9.562 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU B 135 5.313 -10.837 -0.411 1.00 0.00 H new ATOM 2056 N LEU B 136 3.480 -10.265 -4.441 1.00 0.00 N ATOM 2057 CA LEU B 136 2.777 -9.627 -5.561 1.00 0.00 C ATOM 2058 C LEU B 136 3.741 -8.652 -6.281 1.00 0.00 C ATOM 2059 O LEU B 136 4.416 -7.853 -5.629 1.00 0.00 O ATOM 2060 CB LEU B 136 1.548 -8.925 -4.934 1.00 0.00 C ATOM 2061 CG LEU B 136 0.388 -8.467 -5.830 1.00 0.00 C ATOM 2062 CD1 LEU B 136 0.808 -7.618 -7.015 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -0.446 -9.619 -6.378 1.00 0.00 C ATOM 0 H LEU B 136 3.017 -10.062 -3.555 1.00 0.00 H new ATOM 0 HA LEU B 136 2.443 -10.331 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU B 136 1.133 -9.602 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU B 136 1.913 -8.047 -4.401 1.00 0.00 H new ATOM 0 HG LEU B 136 -0.207 -7.861 -5.147 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -0.073 -7.339 -7.593 1.00 0.00 H new ATOM 0 HD12 LEU B 136 1.308 -6.718 -6.658 1.00 0.00 H new ATOM 0 HD13 LEU B 136 1.491 -8.187 -7.646 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -1.247 -9.223 -7.002 1.00 0.00 H new ATOM 0 HD22 LEU B 136 0.188 -10.276 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -0.876 -10.183 -5.550 1.00 0.00 H new ATOM 2075 N GLN B 137 3.837 -8.735 -7.615 1.00 0.00 N ATOM 2076 CA GLN B 137 4.768 -7.950 -8.447 1.00 0.00 C ATOM 2077 C GLN B 137 4.132 -7.388 -9.737 1.00 0.00 C ATOM 2078 O GLN B 137 3.091 -7.859 -10.203 1.00 0.00 O ATOM 2079 CB GLN B 137 5.949 -8.862 -8.836 1.00 0.00 C ATOM 2080 CG GLN B 137 6.900 -9.213 -7.681 1.00 0.00 C ATOM 2081 CD GLN B 137 7.673 -10.490 -7.994 1.00 0.00 C ATOM 2082 OE1 GLN B 137 8.552 -10.527 -8.843 1.00 0.00 O ATOM 2083 NE2 GLN B 137 7.344 -11.592 -7.354 1.00 0.00 N ATOM 0 H GLN B 137 3.254 -9.367 -8.164 1.00 0.00 H new ATOM 0 HA GLN B 137 5.082 -7.090 -7.855 1.00 0.00 H new ATOM 0 HB2 GLN B 137 5.553 -9.787 -9.256 1.00 0.00 H new ATOM 0 HB3 GLN B 137 6.522 -8.374 -9.624 1.00 0.00 H new ATOM 0 HG2 GLN B 137 7.596 -8.391 -7.513 1.00 0.00 H new ATOM 0 HG3 GLN B 137 6.331 -9.342 -6.760 1.00 0.00 H new ATOM 0 HE21 GLN B 137 6.612 -11.570 -6.644 1.00 0.00 H new ATOM 0 HE22 GLN B 137 7.821 -12.468 -7.568 1.00 0.00 H new ATOM 2092 N GLY B 138 4.810 -6.404 -10.340 1.00 0.00 N ATOM 2093 CA GLY B 138 4.483 -5.754 -11.617 1.00 0.00 C ATOM 2094 C GLY B 138 3.081 -5.153 -11.741 1.00 0.00 C ATOM 2095 O GLY B 138 2.584 -4.533 -10.806 1.00 0.00 O ATOM 0 H GLY B 138 5.656 -6.015 -9.923 1.00 0.00 H new ATOM 0 HA2 GLY B 138 5.210 -4.961 -11.792 1.00 0.00 H new ATOM 0 HA3 GLY B 138 4.612 -6.486 -12.415 1.00 0.00 H new ATOM 2099 N GLU B 139 2.459 -5.280 -12.917 1.00 0.00 N ATOM 2100 CA GLU B 139 1.149 -4.692 -13.259 1.00 0.00 C ATOM 2101 C GLU B 139 0.046 -4.948 -12.215 1.00 0.00 C ATOM 2102 O GLU B 139 -0.731 -4.043 -11.899 1.00 0.00 O ATOM 2103 CB GLU B 139 0.726 -5.167 -14.660 1.00 0.00 C ATOM 2104 CG GLU B 139 -0.525 -4.444 -15.178 1.00 0.00 C ATOM 2105 CD GLU B 139 -0.813 -4.824 -16.643 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -1.527 -5.827 -16.888 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -0.333 -4.118 -17.564 1.00 0.00 O ATOM 0 H GLU B 139 2.863 -5.812 -13.687 1.00 0.00 H new ATOM 0 HA GLU B 139 1.277 -3.610 -13.258 1.00 0.00 H new ATOM 0 HB2 GLU B 139 1.548 -5.006 -15.357 1.00 0.00 H new ATOM 0 HB3 GLU B 139 0.536 -6.240 -14.633 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -1.382 -4.702 -14.556 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -0.386 -3.366 -15.098 1.00 0.00 H new ATOM 2114 N GLU B 140 -0.012 -6.159 -11.652 1.00 0.00 N ATOM 2115 CA GLU B 140 -0.968 -6.529 -10.599 1.00 0.00 C ATOM 2116 C GLU B 140 -0.906 -5.590 -9.383 1.00 0.00 C ATOM 2117 O GLU B 140 -1.938 -5.383 -8.745 1.00 0.00 O ATOM 2118 CB GLU B 140 -0.763 -7.983 -10.145 1.00 0.00 C ATOM 2119 CG GLU B 140 -1.253 -9.035 -11.144 1.00 0.00 C ATOM 2120 CD GLU B 140 -2.780 -8.974 -11.345 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -3.537 -9.415 -10.445 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -3.236 -8.471 -12.398 1.00 0.00 O ATOM 0 H GLU B 140 0.611 -6.921 -11.917 1.00 0.00 H new ATOM 0 HA GLU B 140 -1.958 -6.429 -11.043 1.00 0.00 H new ATOM 0 HB2 GLU B 140 0.298 -8.145 -9.957 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -1.281 -8.131 -9.197 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -0.755 -8.885 -12.102 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -0.973 -10.028 -10.791 1.00 0.00 H new ATOM 2129 N LEU B 141 0.262 -5.001 -9.072 1.00 0.00 N ATOM 2130 CA LEU B 141 0.427 -4.027 -7.987 1.00 0.00 C ATOM 2131 C LEU B 141 -0.516 -2.851 -8.221 1.00 0.00 C ATOM 2132 O LEU B 141 -1.402 -2.593 -7.413 1.00 0.00 O ATOM 2133 CB LEU B 141 1.868 -3.484 -7.910 1.00 0.00 C ATOM 2134 CG LEU B 141 2.936 -4.478 -7.439 1.00 0.00 C ATOM 2135 CD1 LEU B 141 4.316 -3.929 -7.794 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.870 -4.634 -5.920 1.00 0.00 C ATOM 0 H LEU B 141 1.128 -5.193 -9.576 1.00 0.00 H new ATOM 0 HA LEU B 141 0.200 -4.537 -7.051 1.00 0.00 H new ATOM 0 HB2 LEU B 141 2.151 -3.118 -8.897 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.877 -2.626 -7.238 1.00 0.00 H new ATOM 0 HG LEU B 141 2.762 -5.440 -7.921 1.00 0.00 H new ATOM 0 HD11 LEU B 141 5.083 -4.630 -7.463 1.00 0.00 H new ATOM 0 HD12 LEU B 141 4.388 -3.796 -8.873 1.00 0.00 H new ATOM 0 HD13 LEU B 141 4.464 -2.969 -7.300 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.632 -5.342 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU B 141 3.046 -3.668 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU B 141 1.885 -5.004 -5.635 1.00 0.00 H new ATOM 2148 N LEU B 142 -0.324 -2.140 -9.334 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.100 -0.957 -9.700 1.00 0.00 C ATOM 2150 C LEU B 142 -2.605 -1.256 -9.719 1.00 0.00 C ATOM 2151 O LEU B 142 -3.379 -0.480 -9.163 1.00 0.00 O ATOM 2152 CB LEU B 142 -0.589 -0.348 -11.016 1.00 0.00 C ATOM 2153 CG LEU B 142 0.938 -0.120 -11.115 1.00 0.00 C ATOM 2154 CD1 LEU B 142 1.211 0.879 -12.237 1.00 0.00 C ATOM 2155 CD2 LEU B 142 1.597 0.427 -9.843 1.00 0.00 C ATOM 0 H LEU B 142 0.392 -2.378 -10.020 1.00 0.00 H new ATOM 0 HA LEU B 142 -0.954 -0.199 -8.930 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -0.892 -1.000 -11.836 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -1.089 0.609 -11.168 1.00 0.00 H new ATOM 0 HG LEU B 142 1.369 -1.104 -11.296 1.00 0.00 H new ATOM 0 HD11 LEU B 142 2.284 1.050 -12.319 1.00 0.00 H new ATOM 0 HD12 LEU B 142 0.834 0.480 -13.179 1.00 0.00 H new ATOM 0 HD13 LEU B 142 0.709 1.821 -12.015 1.00 0.00 H new ATOM 0 HD21 LEU B 142 2.666 0.553 -10.012 1.00 0.00 H new ATOM 0 HD22 LEU B 142 1.154 1.390 -9.589 1.00 0.00 H new ATOM 0 HD23 LEU B 142 1.439 -0.272 -9.022 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.018 -2.398 -10.288 1.00 0.00 N ATOM 2168 CA ARG B 143 -4.420 -2.866 -10.279 1.00 0.00 C ATOM 2169 C ARG B 143 -4.944 -3.010 -8.842 1.00 0.00 C ATOM 2170 O ARG B 143 -6.014 -2.490 -8.522 1.00 0.00 O ATOM 2171 CB ARG B 143 -4.569 -4.186 -11.056 1.00 0.00 C ATOM 2172 CG ARG B 143 -4.260 -4.027 -12.555 1.00 0.00 C ATOM 2173 CD ARG B 143 -4.492 -5.335 -13.321 1.00 0.00 C ATOM 2174 NE ARG B 143 -5.930 -5.652 -13.438 1.00 0.00 N ATOM 2175 CZ ARG B 143 -6.526 -6.826 -13.316 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -5.894 -7.929 -13.030 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -7.815 -6.916 -13.484 1.00 0.00 N ATOM 0 H ARG B 143 -2.384 -3.033 -10.774 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.026 -2.113 -10.783 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -3.900 -4.933 -10.628 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -5.585 -4.562 -10.936 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -4.889 -3.242 -12.975 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -3.225 -3.709 -12.682 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -4.055 -5.256 -14.316 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -3.980 -6.151 -12.811 1.00 0.00 H new ATOM 0 HE ARG B 143 -6.543 -4.862 -13.639 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -4.884 -7.916 -12.887 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -6.409 -8.806 -12.949 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -8.359 -6.083 -13.709 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -8.280 -7.819 -13.391 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.185 -3.686 -7.976 1.00 0.00 N ATOM 2192 CA ALA B 144 -4.488 -3.867 -6.557 1.00 0.00 C ATOM 2193 C ALA B 144 -4.602 -2.514 -5.812 1.00 0.00 C ATOM 2194 O ALA B 144 -5.508 -2.355 -4.996 1.00 0.00 O ATOM 2195 CB ALA B 144 -3.457 -4.820 -5.928 1.00 0.00 C ATOM 0 H ALA B 144 -3.314 -4.137 -8.254 1.00 0.00 H new ATOM 0 HA ALA B 144 -5.470 -4.329 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -3.684 -4.954 -4.870 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -3.498 -5.785 -6.433 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -2.458 -4.397 -6.034 1.00 0.00 H new ATOM 2201 N LEU B 145 -3.726 -1.537 -6.086 1.00 0.00 N ATOM 2202 CA LEU B 145 -3.771 -0.186 -5.498 1.00 0.00 C ATOM 2203 C LEU B 145 -4.988 0.630 -5.979 1.00 0.00 C ATOM 2204 O LEU B 145 -5.614 1.343 -5.200 1.00 0.00 O ATOM 2205 CB LEU B 145 -2.500 0.624 -5.831 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.149 0.052 -5.376 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.030 1.037 -5.675 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.085 -0.252 -3.891 1.00 0.00 C ATOM 0 H LEU B 145 -2.950 -1.664 -6.735 1.00 0.00 H new ATOM 0 HA LEU B 145 -3.846 -0.346 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -2.461 0.757 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -2.609 1.615 -5.392 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.034 -0.880 -5.929 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.921 0.618 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU B 145 0.009 1.229 -6.747 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.217 1.971 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.102 -0.652 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.257 0.663 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -1.850 -0.986 -3.636 1.00 0.00 H new ATOM 2220 N ASP B 146 -5.291 0.589 -7.278 1.00 0.00 N ATOM 2221 CA ASP B 146 -6.348 1.377 -7.925 1.00 0.00 C ATOM 2222 C ASP B 146 -7.772 1.149 -7.386 1.00 0.00 C ATOM 2223 O ASP B 146 -8.582 2.077 -7.394 1.00 0.00 O ATOM 2224 CB ASP B 146 -6.293 1.147 -9.442 1.00 0.00 C ATOM 2225 CG ASP B 146 -7.021 2.261 -10.205 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -6.490 3.399 -10.209 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -8.081 2.000 -10.822 1.00 0.00 O ATOM 0 H ASP B 146 -4.792 -0.013 -7.933 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.137 2.418 -7.679 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -5.254 1.101 -9.767 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -6.745 0.185 -9.682 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.090 -0.065 -6.919 1.00 0.00 N ATOM 2233 CA GLN B 147 -9.419 -0.441 -6.400 1.00 0.00 C ATOM 2234 C GLN B 147 -9.938 0.414 -5.219 1.00 0.00 C ATOM 2235 O GLN B 147 -11.136 0.388 -4.930 1.00 0.00 O ATOM 2236 CB GLN B 147 -9.451 -1.946 -6.071 1.00 0.00 C ATOM 2237 CG GLN B 147 -8.891 -2.291 -4.682 1.00 0.00 C ATOM 2238 CD GLN B 147 -8.735 -3.798 -4.485 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -9.699 -4.553 -4.423 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -7.523 -4.295 -4.379 1.00 0.00 N ATOM 0 H GLN B 147 -7.419 -0.832 -6.889 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.121 -0.223 -7.205 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -10.480 -2.300 -6.136 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -8.880 -2.485 -6.827 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -7.924 -1.806 -4.551 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -9.554 -1.892 -3.915 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -6.713 -3.678 -4.429 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -7.393 -5.298 -4.247 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.059 1.147 -4.521 1.00 0.00 N ATOM 2250 CA VAL B 148 -9.387 2.009 -3.369 1.00 0.00 C ATOM 2251 C VAL B 148 -10.397 3.108 -3.739 1.00 0.00 C ATOM 2252 O VAL B 148 -11.477 3.180 -3.149 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.122 2.665 -2.772 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -8.455 3.495 -1.527 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.055 1.663 -2.338 1.00 0.00 C ATOM 0 H VAL B 148 -8.065 1.159 -4.748 1.00 0.00 H new ATOM 0 HA VAL B 148 -9.839 1.356 -2.622 1.00 0.00 H new ATOM 0 HB VAL B 148 -7.737 3.282 -3.584 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -7.542 3.942 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.160 4.283 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -8.900 2.851 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -6.198 2.198 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -7.466 1.001 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -6.738 1.073 -3.198 1.00 0.00 H new ATOM 2265 N ASN B 149 -10.008 3.972 -4.691 1.00 0.00 N ATOM 2266 CA ASN B 149 -10.719 5.161 -5.195 1.00 0.00 C ATOM 2267 C ASN B 149 -11.432 6.010 -4.108 1.00 0.00 C ATOM 2268 O ASN B 149 -12.614 6.388 -4.286 1.00 0.00 O ATOM 2269 CB ASN B 149 -11.558 4.768 -6.439 1.00 0.00 C ATOM 2270 CG ASN B 149 -12.693 3.766 -6.229 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -12.744 2.708 -6.844 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -13.655 4.083 -5.398 1.00 0.00 N ATOM 2273 OXT ASN B 149 -10.758 6.357 -3.107 1.00 0.00 O ATOM 0 H ASN B 149 -9.115 3.848 -5.168 1.00 0.00 H new ATOM 0 HA ASN B 149 -9.984 5.890 -5.536 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -11.985 5.678 -6.860 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -10.880 4.358 -7.188 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -14.443 3.449 -5.265 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -13.616 4.963 -4.884 1.00 0.00 H new