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= -0.237 K(o=1.5,f=-0.69!) USER MOD Set 1.2: A 77 CYS SG : rot -139:sc= 0.235 USER MOD Set 1.3: A 82 CYS SG : rot 154:sc= 0.624 USER MOD Set 1.4: A 85 CYS SG : rot 111:sc= 0.906 USER MOD Set 2.1: A 12 GLN : amide:sc=-0.000677 X(o=0.78,f=0.32) USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0.27 K(o=0.78,f=-1.1) USER MOD Set 2.3: A 66 SER OG : rot -71:sc= 0.512 USER MOD Set 3.1: A 49 HIS : no HE2:sc= -0.999 X(o=0.76,f=0.62) USER MOD Set 3.2: A 53 CYS SG : rot -158:sc= 1.13 USER MOD Set 3.3: A 59 CYS SG : rot -161:sc= 0.275 USER MOD Set 3.4: A 64 CYS SG : rot 60:sc= 0.348 USER MOD Set 4.1: A 51 THR OG1 : rot 180:sc= 0.00208 USER MOD Set 4.2: A 52 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.7!) USER MOD Set 5.1: A 18 HIS :FLIP no HD1:sc= -0.121 F(o=0.2,f=3.6) USER MOD Set 5.2: A 22 CYS SG : rot -169:sc= 0.922 USER MOD Set 5.3: A 40 CYS SG : rot 103:sc= 0.782! USER MOD Set 5.4: A 44 LYS NZ :NH3+ 164:sc= 2.06 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -102:sc= 0.0773 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 11 GLN : amide:sc= 0.652 K(o=0.65,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 1.15 K(o=1.2,f=-3.4!) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.21) USER MOD Single : A 39 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.48) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 179:sc=-0.00592 (180deg=-0.00806) USER MOD Single : A 45 ASN : amide:sc= 0.988 K(o=0.99,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -176:sc= -0.0668 (180deg=-0.114) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.07) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -72:sc= 1.29 USER MOD Single : A 69 GLN : amide:sc= -0.679 K(o=-0.68,f=-1.6) USER MOD Single : A 72 SER OG : rot 71:sc= 2.07 USER MOD Single : A 75 LYS NZ :NH3+ 154:sc= 1.1 (180deg=0.692) USER MOD Single : A 76 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 78 THR OG1 : rot -39:sc= 0.345 USER MOD Single : A 80 HIS : no HE2:sc= 0.543 K(o=0.54,f=-2.2!) 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= 0.128 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot -160:sc= -0.0112 USER MOD Single : B 126 ASN : amide:sc= 1.79 K(o=1.8,f=-4!) USER MOD Single : B 130 GLN : amide:sc= -0.0704 X(o=-0.07,f=-0.07) USER MOD Single : B 137 GLN : amide:sc= 0.895 K(o=0.89,f=0) USER MOD Single : B 147 GLN : amide:sc= 0.845 K(o=0.84,f=0) USER MOD Single : B 149 ASN : amide:sc= 0.847 K(o=0.85,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.068 -12.259 15.577 1.00 0.00 N ATOM 2 CA ALA A 1 6.295 -11.010 15.369 1.00 0.00 C ATOM 3 C ALA A 1 6.415 -10.083 16.587 1.00 0.00 C ATOM 4 O ALA A 1 6.754 -10.529 17.685 1.00 0.00 O ATOM 5 CB ALA A 1 4.828 -11.317 15.019 1.00 0.00 C ATOM 0 H1 ALA A 1 7.964 -12.205 15.051 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.268 -12.379 16.591 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.515 -13.071 15.235 1.00 0.00 H new ATOM 0 HA ALA A 1 6.722 -10.482 14.517 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.286 -10.383 14.872 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.788 -11.907 14.104 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.370 -11.878 15.833 1.00 0.00 H new ATOM 13 N ASP A 2 6.159 -8.784 16.405 1.00 0.00 N ATOM 14 CA ASP A 2 6.266 -7.731 17.425 1.00 0.00 C ATOM 15 C ASP A 2 5.143 -6.673 17.271 1.00 0.00 C ATOM 16 O ASP A 2 4.825 -6.284 16.140 1.00 0.00 O ATOM 17 CB ASP A 2 7.659 -7.097 17.285 1.00 0.00 C ATOM 18 CG ASP A 2 7.956 -6.088 18.401 1.00 0.00 C ATOM 19 OD1 ASP A 2 7.479 -4.938 18.297 1.00 0.00 O ATOM 20 OD2 ASP A 2 8.655 -6.450 19.378 1.00 0.00 O ATOM 0 H ASP A 2 5.857 -8.419 15.502 1.00 0.00 H new ATOM 0 HA ASP A 2 6.143 -8.157 18.421 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.415 -7.882 17.297 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.733 -6.598 16.319 1.00 0.00 H new ATOM 25 N PRO A 3 4.525 -6.186 18.368 1.00 0.00 N ATOM 26 CA PRO A 3 3.437 -5.204 18.310 1.00 0.00 C ATOM 27 C PRO A 3 3.837 -3.848 17.706 1.00 0.00 C ATOM 28 O PRO A 3 2.996 -3.190 17.095 1.00 0.00 O ATOM 29 CB PRO A 3 2.916 -5.066 19.745 1.00 0.00 C ATOM 30 CG PRO A 3 4.118 -5.462 20.598 1.00 0.00 C ATOM 31 CD PRO A 3 4.788 -6.544 19.756 1.00 0.00 C ATOM 0 HA PRO A 3 2.663 -5.558 17.629 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.590 -4.048 19.958 1.00 0.00 H new ATOM 0 HB3 PRO A 3 2.062 -5.718 19.927 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.784 -4.617 20.776 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.814 -5.839 21.574 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.859 -6.586 19.953 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.383 -7.528 19.990 1.00 0.00 H new ATOM 39 N GLU A 4 5.096 -3.409 17.825 1.00 0.00 N ATOM 40 CA GLU A 4 5.544 -2.158 17.199 1.00 0.00 C ATOM 41 C GLU A 4 5.595 -2.308 15.673 1.00 0.00 C ATOM 42 O GLU A 4 5.137 -1.415 14.962 1.00 0.00 O ATOM 43 CB GLU A 4 6.882 -1.653 17.754 1.00 0.00 C ATOM 44 CG GLU A 4 6.826 -1.384 19.264 1.00 0.00 C ATOM 45 CD GLU A 4 8.121 -0.708 19.758 1.00 0.00 C ATOM 46 OE1 GLU A 4 8.240 0.536 19.643 1.00 0.00 O ATOM 47 OE2 GLU A 4 9.026 -1.406 20.280 1.00 0.00 O ATOM 0 H GLU A 4 5.821 -3.900 18.348 1.00 0.00 H new ATOM 0 HA GLU A 4 4.807 -1.396 17.453 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.659 -2.389 17.548 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.165 -0.737 17.235 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.971 -0.748 19.491 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.676 -2.322 19.798 1.00 0.00 H new ATOM 54 N LYS A 5 6.080 -3.445 15.146 1.00 0.00 N ATOM 55 CA LYS A 5 6.074 -3.728 13.695 1.00 0.00 C ATOM 56 C LYS A 5 4.663 -3.636 13.107 1.00 0.00 C ATOM 57 O LYS A 5 4.524 -3.156 11.986 1.00 0.00 O ATOM 58 CB LYS A 5 6.767 -5.058 13.346 1.00 0.00 C ATOM 59 CG LYS A 5 8.273 -4.921 13.064 1.00 0.00 C ATOM 60 CD LYS A 5 9.099 -4.386 14.244 1.00 0.00 C ATOM 61 CE LYS A 5 10.587 -4.378 13.872 1.00 0.00 C ATOM 62 NZ LYS A 5 11.428 -3.877 14.991 1.00 0.00 N ATOM 0 H LYS A 5 6.486 -4.193 15.708 1.00 0.00 H new ATOM 0 HA LYS A 5 6.670 -2.947 13.222 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.624 -5.758 14.169 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.281 -5.491 12.471 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.665 -5.896 12.776 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.410 -4.257 12.211 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.773 -3.378 14.501 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.938 -5.008 15.125 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.901 -5.387 13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.740 -3.752 12.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.428 -3.885 14.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.144 -2.905 15.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.301 -4.489 15.822 1.00 0.00 H new ATOM 76 N ARG A 6 3.611 -4.010 13.851 1.00 0.00 N ATOM 77 CA ARG A 6 2.210 -3.820 13.415 1.00 0.00 C ATOM 78 C ARG A 6 1.929 -2.339 13.114 1.00 0.00 C ATOM 79 O ARG A 6 1.402 -2.060 12.041 1.00 0.00 O ATOM 80 CB ARG A 6 1.199 -4.409 14.415 1.00 0.00 C ATOM 81 CG ARG A 6 1.286 -5.939 14.586 1.00 0.00 C ATOM 82 CD ARG A 6 1.028 -6.759 13.309 1.00 0.00 C ATOM 83 NE ARG A 6 -0.289 -6.455 12.707 1.00 0.00 N ATOM 84 CZ ARG A 6 -1.093 -7.260 12.034 1.00 0.00 C ATOM 85 NH1 ARG A 6 -0.797 -8.496 11.755 1.00 0.00 N ATOM 86 NH2 ARG A 6 -2.245 -6.823 11.614 1.00 0.00 N ATOM 0 H ARG A 6 3.701 -4.450 14.767 1.00 0.00 H new ATOM 0 HA ARG A 6 2.077 -4.380 12.489 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.352 -3.938 15.386 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.192 -4.149 14.090 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.277 -6.190 14.965 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.567 -6.245 15.346 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.814 -6.554 12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.081 -7.822 13.545 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.620 -5.498 12.827 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.094 -8.888 12.059 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.456 -9.073 11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.526 -5.861 11.804 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.867 -7.443 11.094 1.00 0.00 H new ATOM 100 N LYS A 7 2.334 -1.396 13.985 1.00 0.00 N ATOM 101 CA LYS A 7 2.225 0.070 13.764 1.00 0.00 C ATOM 102 C LYS A 7 2.921 0.478 12.462 1.00 0.00 C ATOM 103 O LYS A 7 2.329 1.157 11.622 1.00 0.00 O ATOM 104 CB LYS A 7 2.832 0.896 14.920 1.00 0.00 C ATOM 105 CG LYS A 7 2.230 0.646 16.310 1.00 0.00 C ATOM 106 CD LYS A 7 3.076 1.276 17.432 1.00 0.00 C ATOM 107 CE LYS A 7 3.397 2.773 17.299 1.00 0.00 C ATOM 108 NZ LYS A 7 2.217 3.653 17.498 1.00 0.00 N ATOM 0 H LYS A 7 2.756 -1.630 14.883 1.00 0.00 H new ATOM 0 HA LYS A 7 1.158 0.285 13.710 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.901 0.690 14.966 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.721 1.954 14.682 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.220 1.055 16.346 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.146 -0.427 16.480 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.555 1.123 18.377 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.018 0.731 17.495 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.164 3.038 18.027 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.817 2.960 16.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.504 4.647 17.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.491 3.427 16.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.828 3.502 18.451 1.00 0.00 H new ATOM 122 N LEU A 8 4.178 0.053 12.300 1.00 0.00 N ATOM 123 CA LEU A 8 5.024 0.305 11.125 1.00 0.00 C ATOM 124 C LEU A 8 4.325 -0.156 9.830 1.00 0.00 C ATOM 125 O LEU A 8 4.190 0.614 8.879 1.00 0.00 O ATOM 126 CB LEU A 8 6.402 -0.371 11.306 1.00 0.00 C ATOM 127 CG LEU A 8 7.214 0.031 12.552 1.00 0.00 C ATOM 128 CD1 LEU A 8 8.588 -0.640 12.514 1.00 0.00 C ATOM 129 CD2 LEU A 8 7.395 1.540 12.684 1.00 0.00 C ATOM 0 H LEU A 8 4.655 -0.499 13.013 1.00 0.00 H new ATOM 0 HA LEU A 8 5.186 1.379 11.034 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.250 -1.450 11.333 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.005 -0.156 10.424 1.00 0.00 H new ATOM 0 HG LEU A 8 6.645 -0.305 13.419 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.158 -0.352 13.397 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.464 -1.723 12.499 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.123 -0.324 11.618 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.975 1.760 13.580 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.921 1.921 11.809 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.418 2.019 12.757 1.00 0.00 H new ATOM 141 N ILE A 9 3.864 -1.411 9.806 1.00 0.00 N ATOM 142 CA ILE A 9 3.131 -2.044 8.700 1.00 0.00 C ATOM 143 C ILE A 9 1.842 -1.266 8.410 1.00 0.00 C ATOM 144 O ILE A 9 1.636 -0.853 7.272 1.00 0.00 O ATOM 145 CB ILE A 9 2.889 -3.541 9.008 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.240 -4.290 8.937 1.00 0.00 C ATOM 147 CG2 ILE A 9 1.893 -4.188 8.027 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.220 -5.684 9.563 1.00 0.00 C ATOM 0 H ILE A 9 3.997 -2.045 10.594 1.00 0.00 H new ATOM 0 HA ILE A 9 3.727 -2.009 7.788 1.00 0.00 H new ATOM 0 HB ILE A 9 2.455 -3.612 10.005 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.539 -4.378 7.892 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.001 -3.691 9.437 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.757 -5.238 8.286 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.935 -3.672 8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.281 -4.112 7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.206 -6.139 9.470 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.954 -5.606 10.617 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.485 -6.303 9.049 1.00 0.00 H new ATOM 160 N GLN A 10 1.000 -1.034 9.425 1.00 0.00 N ATOM 161 CA GLN A 10 -0.248 -0.263 9.349 1.00 0.00 C ATOM 162 C GLN A 10 -0.047 1.071 8.622 1.00 0.00 C ATOM 163 O GLN A 10 -0.754 1.338 7.647 1.00 0.00 O ATOM 164 CB GLN A 10 -0.834 -0.043 10.755 1.00 0.00 C ATOM 165 CG GLN A 10 -1.683 -1.235 11.213 1.00 0.00 C ATOM 166 CD GLN A 10 -2.121 -1.118 12.673 1.00 0.00 C ATOM 167 OE1 GLN A 10 -1.328 -1.176 13.604 1.00 0.00 O ATOM 168 NE2 GLN A 10 -3.403 -0.972 12.940 1.00 0.00 N ATOM 0 H GLN A 10 1.178 -1.394 10.363 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.962 -0.844 8.765 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.023 0.119 11.465 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.445 0.860 10.757 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.565 -1.313 10.578 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.113 -2.155 11.081 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.080 -0.921 12.179 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.718 -0.909 13.908 1.00 0.00 H new ATOM 177 N GLN A 11 0.915 1.898 9.062 1.00 0.00 N ATOM 178 CA GLN A 11 1.191 3.158 8.372 1.00 0.00 C ATOM 179 C GLN A 11 1.626 2.924 6.917 1.00 0.00 C ATOM 180 O GLN A 11 0.984 3.480 6.032 1.00 0.00 O ATOM 181 CB GLN A 11 2.099 4.123 9.156 1.00 0.00 C ATOM 182 CG GLN A 11 3.559 3.709 9.382 1.00 0.00 C ATOM 183 CD GLN A 11 4.396 4.898 9.840 1.00 0.00 C ATOM 184 OE1 GLN A 11 4.124 5.529 10.849 1.00 0.00 O ATOM 185 NE2 GLN A 11 5.429 5.258 9.104 1.00 0.00 N ATOM 0 H GLN A 11 1.502 1.718 9.877 1.00 0.00 H new ATOM 0 HA GLN A 11 0.243 3.694 8.325 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.099 5.080 8.635 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.644 4.292 10.132 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.605 2.917 10.129 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.973 3.301 8.460 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.661 4.734 8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.996 6.060 9.379 1.00 0.00 H new ATOM 194 N GLN A 12 2.645 2.098 6.628 1.00 0.00 N ATOM 195 CA GLN A 12 3.070 1.837 5.241 1.00 0.00 C ATOM 196 C GLN A 12 1.909 1.394 4.333 1.00 0.00 C ATOM 197 O GLN A 12 1.808 1.886 3.213 1.00 0.00 O ATOM 198 CB GLN A 12 4.224 0.825 5.139 1.00 0.00 C ATOM 199 CG GLN A 12 5.580 1.345 5.652 1.00 0.00 C ATOM 200 CD GLN A 12 6.786 0.740 4.917 1.00 0.00 C ATOM 201 OE1 GLN A 12 7.801 1.392 4.726 1.00 0.00 O ATOM 202 NE2 GLN A 12 6.743 -0.505 4.484 1.00 0.00 N ATOM 0 H GLN A 12 3.189 1.601 7.333 1.00 0.00 H new ATOM 0 HA GLN A 12 3.436 2.800 4.884 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.956 -0.069 5.702 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.335 0.525 4.097 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.607 2.430 5.547 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.665 1.125 6.716 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.906 -1.068 4.633 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.547 -0.905 4.001 1.00 0.00 H new ATOM 211 N LEU A 13 1.032 0.502 4.805 1.00 0.00 N ATOM 212 CA LEU A 13 -0.147 -0.006 4.108 1.00 0.00 C ATOM 213 C LEU A 13 -1.039 1.163 3.654 1.00 0.00 C ATOM 214 O LEU A 13 -1.261 1.348 2.458 1.00 0.00 O ATOM 215 CB LEU A 13 -0.835 -1.040 5.032 1.00 0.00 C ATOM 216 CG LEU A 13 -1.642 -2.132 4.312 1.00 0.00 C ATOM 217 CD1 LEU A 13 -1.971 -3.281 5.259 1.00 0.00 C ATOM 218 CD2 LEU A 13 -2.932 -1.594 3.723 1.00 0.00 C ATOM 0 H LEU A 13 1.134 0.095 5.735 1.00 0.00 H new ATOM 0 HA LEU A 13 0.110 -0.526 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.071 -1.520 5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.501 -0.508 5.712 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.014 -2.494 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.542 -4.040 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.046 -3.720 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.560 -2.906 6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.469 -2.401 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.552 -1.184 4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.703 -0.810 3.001 1.00 0.00 H new ATOM 230 N VAL A 14 -1.512 1.984 4.596 1.00 0.00 N ATOM 231 CA VAL A 14 -2.359 3.159 4.337 1.00 0.00 C ATOM 232 C VAL A 14 -1.630 4.228 3.498 1.00 0.00 C ATOM 233 O VAL A 14 -2.217 4.751 2.549 1.00 0.00 O ATOM 234 CB VAL A 14 -2.934 3.702 5.660 1.00 0.00 C ATOM 235 CG1 VAL A 14 -3.827 4.935 5.461 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.799 2.637 6.354 1.00 0.00 C ATOM 0 H VAL A 14 -1.313 1.849 5.587 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.205 2.850 3.723 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.068 3.974 6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.203 5.272 6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.247 5.734 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.666 4.676 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.195 3.041 7.286 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.625 2.356 5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.191 1.758 6.569 1.00 0.00 H new ATOM 246 N LEU A 15 -0.357 4.539 3.790 1.00 0.00 N ATOM 247 CA LEU A 15 0.462 5.489 3.014 1.00 0.00 C ATOM 248 C LEU A 15 0.562 5.069 1.539 1.00 0.00 C ATOM 249 O LEU A 15 0.321 5.884 0.654 1.00 0.00 O ATOM 250 CB LEU A 15 1.895 5.637 3.568 1.00 0.00 C ATOM 251 CG LEU A 15 2.099 6.319 4.926 1.00 0.00 C ATOM 252 CD1 LEU A 15 3.597 6.430 5.211 1.00 0.00 C ATOM 253 CD2 LEU A 15 1.480 7.709 4.981 1.00 0.00 C ATOM 0 H LEU A 15 0.141 4.133 4.582 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.049 6.448 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.328 4.639 3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.477 6.190 2.831 1.00 0.00 H new ATOM 0 HG LEU A 15 1.600 5.706 5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.749 6.914 6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.038 5.434 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.073 7.021 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.654 8.146 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.935 8.340 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.407 7.637 4.800 1.00 0.00 H new ATOM 265 N LEU A 16 0.929 3.814 1.267 1.00 0.00 N ATOM 266 CA LEU A 16 1.078 3.234 -0.072 1.00 0.00 C ATOM 267 C LEU A 16 -0.217 3.332 -0.896 1.00 0.00 C ATOM 268 O LEU A 16 -0.192 3.685 -2.076 1.00 0.00 O ATOM 269 CB LEU A 16 1.560 1.785 0.095 1.00 0.00 C ATOM 270 CG LEU A 16 1.859 1.050 -1.217 1.00 0.00 C ATOM 271 CD1 LEU A 16 3.020 1.698 -1.967 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.268 -0.380 -0.883 1.00 0.00 C ATOM 0 H LEU A 16 1.140 3.144 2.007 1.00 0.00 H new ATOM 0 HA LEU A 16 1.815 3.801 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.461 1.785 0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.802 1.226 0.643 1.00 0.00 H new ATOM 0 HG LEU A 16 0.966 1.087 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.205 1.152 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.770 2.733 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.915 1.672 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.485 -0.921 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.157 -0.366 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.455 -0.877 -0.354 1.00 0.00 H new ATOM 284 N LEU A 17 -1.353 3.039 -0.263 1.00 0.00 N ATOM 285 CA LEU A 17 -2.686 3.157 -0.857 1.00 0.00 C ATOM 286 C LEU A 17 -2.978 4.617 -1.240 1.00 0.00 C ATOM 287 O LEU A 17 -3.314 4.890 -2.396 1.00 0.00 O ATOM 288 CB LEU A 17 -3.719 2.574 0.116 1.00 0.00 C ATOM 289 CG LEU A 17 -3.599 1.044 0.239 1.00 0.00 C ATOM 290 CD1 LEU A 17 -4.358 0.594 1.476 1.00 0.00 C ATOM 291 CD2 LEU A 17 -4.184 0.300 -0.959 1.00 0.00 C ATOM 0 H LEU A 17 -1.373 2.705 0.701 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.741 2.584 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.588 3.028 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.722 2.833 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.536 0.811 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.282 -0.489 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.931 1.071 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.407 0.877 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.069 -0.774 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.243 0.541 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.659 0.601 -1.866 1.00 0.00 H new ATOM 303 N HIS A 18 -2.798 5.559 -0.303 1.00 0.00 N ATOM 304 CA HIS A 18 -2.926 6.995 -0.574 1.00 0.00 C ATOM 305 C HIS A 18 -1.987 7.408 -1.720 1.00 0.00 C ATOM 306 O HIS A 18 -2.439 8.092 -2.628 1.00 0.00 O ATOM 307 CB HIS A 18 -2.668 7.839 0.690 1.00 0.00 C ATOM 308 CG HIS A 18 -2.685 9.338 0.438 1.00 0.00 C ATOM 309 ND1 HIS A 18 -1.705 10.059 -0.196 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 -3.694 10.224 0.755 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 -2.126 11.393 -0.303 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 -3.329 11.442 0.301 1.00 0.00 N flip ATOM 0 H HIS A 18 -2.559 5.344 0.665 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.953 7.188 -0.882 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.423 7.597 1.438 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.702 7.561 1.111 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.611 9.986 1.273 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.597 12.209 -0.771 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.890 12.288 0.402 1.00 0.00 H new ATOM 320 N ALA A 19 -0.710 7.002 -1.705 1.00 0.00 N ATOM 321 CA ALA A 19 0.302 7.334 -2.712 1.00 0.00 C ATOM 322 C ALA A 19 -0.222 7.219 -4.154 1.00 0.00 C ATOM 323 O ALA A 19 -0.187 8.194 -4.903 1.00 0.00 O ATOM 324 CB ALA A 19 1.570 6.512 -2.478 1.00 0.00 C ATOM 0 H ALA A 19 -0.341 6.410 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 19 0.555 8.387 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.314 6.768 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.968 6.731 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.333 5.450 -2.547 1.00 0.00 H new ATOM 330 N HIS A 20 -0.748 6.053 -4.557 1.00 0.00 N ATOM 331 CA HIS A 20 -1.336 5.894 -5.898 1.00 0.00 C ATOM 332 C HIS A 20 -2.645 6.685 -6.072 1.00 0.00 C ATOM 333 O HIS A 20 -2.865 7.261 -7.136 1.00 0.00 O ATOM 334 CB HIS A 20 -1.504 4.420 -6.261 1.00 0.00 C ATOM 335 CG HIS A 20 -2.196 4.238 -7.591 1.00 0.00 C ATOM 336 ND1 HIS A 20 -1.682 4.578 -8.833 1.00 0.00 N ATOM 337 CD2 HIS A 20 -3.508 3.886 -7.753 1.00 0.00 C ATOM 338 CE1 HIS A 20 -2.674 4.427 -9.735 1.00 0.00 C ATOM 339 NE2 HIS A 20 -3.791 4.008 -9.101 1.00 0.00 N ATOM 0 H HIS A 20 -0.779 5.212 -3.980 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.628 6.327 -6.604 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.525 3.941 -6.294 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.079 3.918 -5.482 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.191 3.573 -6.977 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.589 4.612 -10.796 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.690 3.815 -9.542 1.00 0.00 H new ATOM 348 N LYS A 21 -3.518 6.756 -5.059 1.00 0.00 N ATOM 349 CA LYS A 21 -4.765 7.553 -5.107 1.00 0.00 C ATOM 350 C LYS A 21 -4.464 9.038 -5.406 1.00 0.00 C ATOM 351 O LYS A 21 -5.106 9.653 -6.258 1.00 0.00 O ATOM 352 CB LYS A 21 -5.566 7.313 -3.810 1.00 0.00 C ATOM 353 CG LYS A 21 -7.018 7.827 -3.822 1.00 0.00 C ATOM 354 CD LYS A 21 -7.836 7.436 -5.057 1.00 0.00 C ATOM 355 CE LYS A 21 -7.795 5.931 -5.364 1.00 0.00 C ATOM 356 NZ LYS A 21 -8.812 5.584 -6.388 1.00 0.00 N ATOM 0 H LYS A 21 -3.385 6.263 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.396 7.227 -5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.580 6.243 -3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.037 7.789 -2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.527 7.452 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.003 8.914 -3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.872 7.741 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.462 7.986 -5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.803 5.653 -5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.979 5.362 -4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.761 4.567 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.760 5.816 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.629 6.126 -7.257 1.00 0.00 H new ATOM 370 N CYS A 22 -3.436 9.573 -4.755 1.00 0.00 N ATOM 371 CA CYS A 22 -2.844 10.895 -4.921 1.00 0.00 C ATOM 372 C CYS A 22 -2.239 11.029 -6.338 1.00 0.00 C ATOM 373 O CYS A 22 -2.558 11.965 -7.068 1.00 0.00 O ATOM 374 CB CYS A 22 -1.825 11.048 -3.779 1.00 0.00 C ATOM 375 SG CYS A 22 -1.275 12.757 -3.525 1.00 0.00 S ATOM 0 H CYS A 22 -2.952 9.042 -4.031 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.571 11.704 -4.854 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.268 10.676 -2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.957 10.423 -3.991 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.266 12.771 -2.706 1.00 0.00 H new ATOM 627 N HIS A 39 4.975 11.912 3.867 1.00 0.00 N ATOM 628 CA HIS A 39 5.672 10.736 3.316 1.00 0.00 C ATOM 629 C HIS A 39 5.104 10.196 1.989 1.00 0.00 C ATOM 630 O HIS A 39 5.740 9.345 1.367 1.00 0.00 O ATOM 631 CB HIS A 39 5.710 9.644 4.397 1.00 0.00 C ATOM 632 CG HIS A 39 6.378 10.059 5.694 1.00 0.00 C ATOM 633 ND1 HIS A 39 6.211 9.435 6.918 1.00 0.00 N ATOM 634 CD2 HIS A 39 7.221 11.124 5.880 1.00 0.00 C ATOM 635 CE1 HIS A 39 6.900 10.142 7.838 1.00 0.00 C ATOM 636 NE2 HIS A 39 7.532 11.164 7.228 1.00 0.00 N ATOM 0 HA HIS A 39 6.678 11.060 3.050 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.689 9.331 4.614 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.232 8.774 3.997 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.575 11.803 5.119 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.939 9.924 8.895 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.136 11.849 7.682 1.00 0.00 H new ATOM 645 N CYS A 40 3.943 10.681 1.544 1.00 0.00 N ATOM 646 CA CYS A 40 3.252 10.294 0.310 1.00 0.00 C ATOM 647 C CYS A 40 4.192 10.146 -0.908 1.00 0.00 C ATOM 648 O CYS A 40 4.268 9.070 -1.512 1.00 0.00 O ATOM 649 CB CYS A 40 2.129 11.318 0.092 1.00 0.00 C ATOM 650 SG CYS A 40 1.238 11.013 -1.456 1.00 0.00 S ATOM 0 H CYS A 40 3.430 11.394 2.063 1.00 0.00 H new ATOM 0 HA CYS A 40 2.835 9.293 0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.431 11.277 0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.550 12.323 0.078 1.00 0.00 H new ATOM 0 HG CYS A 40 0.101 10.439 -1.196 1.00 0.00 H new ATOM 655 N ARG A 41 4.946 11.198 -1.268 1.00 0.00 N ATOM 656 CA ARG A 41 5.878 11.164 -2.412 1.00 0.00 C ATOM 657 C ARG A 41 6.987 10.107 -2.283 1.00 0.00 C ATOM 658 O ARG A 41 7.401 9.550 -3.300 1.00 0.00 O ATOM 659 CB ARG A 41 6.383 12.574 -2.768 1.00 0.00 C ATOM 660 CG ARG A 41 6.801 12.640 -4.253 1.00 0.00 C ATOM 661 CD ARG A 41 6.946 14.071 -4.792 1.00 0.00 C ATOM 662 NE ARG A 41 5.673 14.824 -4.769 1.00 0.00 N ATOM 663 CZ ARG A 41 4.659 14.773 -5.620 1.00 0.00 C ATOM 664 NH1 ARG A 41 4.638 13.995 -6.665 1.00 0.00 N ATOM 665 NH2 ARG A 41 3.617 15.522 -5.427 1.00 0.00 N ATOM 0 H ARG A 41 4.929 12.093 -0.778 1.00 0.00 H new ATOM 0 HA ARG A 41 5.305 10.819 -3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.601 13.307 -2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.230 12.834 -2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.749 12.117 -4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.062 12.109 -4.853 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.689 14.604 -4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.322 14.033 -5.814 1.00 0.00 H new ATOM 0 HE ARG A 41 5.560 15.472 -3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.430 13.383 -6.861 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.829 13.998 -7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.581 16.147 -4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.834 15.485 -6.080 1.00 0.00 H new ATOM 679 N THR A 42 7.423 9.760 -1.067 1.00 0.00 N ATOM 680 CA THR A 42 8.361 8.640 -0.834 1.00 0.00 C ATOM 681 C THR A 42 7.687 7.342 -1.278 1.00 0.00 C ATOM 682 O THR A 42 8.243 6.602 -2.089 1.00 0.00 O ATOM 683 CB THR A 42 8.824 8.524 0.628 1.00 0.00 C ATOM 684 OG1 THR A 42 9.437 9.737 1.018 1.00 0.00 O ATOM 685 CG2 THR A 42 9.848 7.397 0.814 1.00 0.00 C ATOM 0 H THR A 42 7.140 10.242 -0.214 1.00 0.00 H new ATOM 0 HA THR A 42 9.260 8.835 -1.418 1.00 0.00 H new ATOM 0 HB THR A 42 7.946 8.306 1.236 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.733 9.669 1.950 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.150 7.348 1.860 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.401 6.447 0.521 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.722 7.594 0.193 1.00 0.00 H new ATOM 693 N MET A 43 6.462 7.084 -0.807 1.00 0.00 N ATOM 694 CA MET A 43 5.663 5.929 -1.231 1.00 0.00 C ATOM 695 C MET A 43 5.427 5.940 -2.757 1.00 0.00 C ATOM 696 O MET A 43 5.494 4.879 -3.366 1.00 0.00 O ATOM 697 CB MET A 43 4.355 5.810 -0.442 1.00 0.00 C ATOM 698 CG MET A 43 4.504 5.179 0.948 1.00 0.00 C ATOM 699 SD MET A 43 5.564 6.034 2.150 1.00 0.00 S ATOM 700 CE MET A 43 7.081 5.050 2.011 1.00 0.00 C ATOM 0 H MET A 43 5.995 7.673 -0.118 1.00 0.00 H new ATOM 0 HA MET A 43 6.240 5.033 -1.001 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.921 6.804 -0.331 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.648 5.217 -1.022 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.509 5.087 1.383 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.890 4.168 0.818 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.842 5.458 2.676 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.872 4.017 2.290 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.443 5.082 0.983 1.00 0.00 H new ATOM 710 N LYS A 44 5.201 7.098 -3.406 1.00 0.00 N ATOM 711 CA LYS A 44 5.081 7.209 -4.882 1.00 0.00 C ATOM 712 C LYS A 44 6.368 6.763 -5.596 1.00 0.00 C ATOM 713 O LYS A 44 6.298 6.030 -6.581 1.00 0.00 O ATOM 714 CB LYS A 44 4.700 8.626 -5.344 1.00 0.00 C ATOM 715 CG LYS A 44 3.239 9.014 -5.064 1.00 0.00 C ATOM 716 CD LYS A 44 2.937 10.354 -5.766 1.00 0.00 C ATOM 717 CE LYS A 44 1.526 10.900 -5.507 1.00 0.00 C ATOM 718 NZ LYS A 44 1.433 11.713 -4.277 1.00 0.00 N ATOM 0 H LYS A 44 5.095 7.990 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 44 4.270 6.536 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.355 9.344 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.886 8.708 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.566 8.237 -5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.072 9.104 -3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.666 11.095 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.073 10.227 -6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.216 11.505 -6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.828 10.066 -5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.554 12.268 -4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.432 11.087 -3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.248 12.357 -4.224 1.00 0.00 H new ATOM 732 N ASN A 45 7.542 7.176 -5.111 1.00 0.00 N ATOM 733 CA ASN A 45 8.846 6.751 -5.647 1.00 0.00 C ATOM 734 C ASN A 45 8.997 5.222 -5.523 1.00 0.00 C ATOM 735 O ASN A 45 9.334 4.542 -6.494 1.00 0.00 O ATOM 736 CB ASN A 45 9.992 7.502 -4.944 1.00 0.00 C ATOM 737 CG ASN A 45 10.265 8.860 -5.566 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.149 9.021 -6.397 1.00 0.00 O ATOM 739 ND2 ASN A 45 9.524 9.879 -5.200 1.00 0.00 N ATOM 0 H ASN A 45 7.619 7.823 -4.326 1.00 0.00 H new ATOM 0 HA ASN A 45 8.897 7.004 -6.706 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.745 7.632 -3.890 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.898 6.898 -4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.686 10.800 -5.608 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.786 9.750 -4.508 1.00 0.00 H new ATOM 746 N VAL A 46 8.701 4.681 -4.334 1.00 0.00 N ATOM 747 CA VAL A 46 8.682 3.240 -4.022 1.00 0.00 C ATOM 748 C VAL A 46 7.763 2.505 -5.008 1.00 0.00 C ATOM 749 O VAL A 46 8.213 1.587 -5.685 1.00 0.00 O ATOM 750 CB VAL A 46 8.293 3.032 -2.544 1.00 0.00 C ATOM 751 CG1 VAL A 46 7.941 1.587 -2.181 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.443 3.498 -1.639 1.00 0.00 C ATOM 0 H VAL A 46 8.458 5.256 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 46 9.675 2.809 -4.146 1.00 0.00 H new ATOM 0 HB VAL A 46 7.391 3.624 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.680 1.531 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.094 1.257 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.798 0.943 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.167 3.351 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.339 2.919 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.640 4.555 -1.816 1.00 0.00 H new ATOM 762 N LEU A 47 6.504 2.937 -5.135 1.00 0.00 N ATOM 763 CA LEU A 47 5.464 2.467 -6.061 1.00 0.00 C ATOM 764 C LEU A 47 5.970 2.389 -7.513 1.00 0.00 C ATOM 765 O LEU A 47 5.874 1.333 -8.140 1.00 0.00 O ATOM 766 CB LEU A 47 4.234 3.383 -5.871 1.00 0.00 C ATOM 767 CG LEU A 47 2.965 3.100 -6.687 1.00 0.00 C ATOM 768 CD1 LEU A 47 3.013 3.567 -8.139 1.00 0.00 C ATOM 769 CD2 LEU A 47 2.619 1.624 -6.649 1.00 0.00 C ATOM 0 H LEU A 47 6.155 3.690 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 47 5.178 1.440 -5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.961 3.353 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.546 4.404 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 47 2.190 3.694 -6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.072 3.322 -8.631 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.169 4.645 -8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.833 3.067 -8.655 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.716 1.447 -7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.443 1.046 -7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.449 1.317 -5.617 1.00 0.00 H new ATOM 781 N ASN A 48 6.520 3.487 -8.042 1.00 0.00 N ATOM 782 CA ASN A 48 7.094 3.561 -9.391 1.00 0.00 C ATOM 783 C ASN A 48 8.166 2.483 -9.620 1.00 0.00 C ATOM 784 O ASN A 48 8.185 1.831 -10.663 1.00 0.00 O ATOM 785 CB ASN A 48 7.680 4.961 -9.614 1.00 0.00 C ATOM 786 CG ASN A 48 8.267 5.101 -11.011 1.00 0.00 C ATOM 787 OD1 ASN A 48 7.570 5.044 -12.015 1.00 0.00 O ATOM 788 ND2 ASN A 48 9.565 5.271 -11.127 1.00 0.00 N ATOM 0 H ASN A 48 6.580 4.369 -7.533 1.00 0.00 H new ATOM 0 HA ASN A 48 6.299 3.375 -10.113 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.902 5.710 -9.468 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.454 5.156 -8.871 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.988 5.355 -12.051 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.150 5.319 -10.293 1.00 0.00 H new ATOM 795 N HIS A 49 9.070 2.292 -8.660 1.00 0.00 N ATOM 796 CA HIS A 49 10.089 1.249 -8.732 1.00 0.00 C ATOM 797 C HIS A 49 9.437 -0.154 -8.657 1.00 0.00 C ATOM 798 O HIS A 49 9.733 -1.006 -9.495 1.00 0.00 O ATOM 799 CB HIS A 49 11.148 1.508 -7.650 1.00 0.00 C ATOM 800 CG HIS A 49 12.210 0.436 -7.599 1.00 0.00 C ATOM 801 ND1 HIS A 49 13.342 0.358 -8.385 1.00 0.00 N ATOM 802 CD2 HIS A 49 12.133 -0.721 -6.872 1.00 0.00 C ATOM 803 CE1 HIS A 49 13.915 -0.842 -8.156 1.00 0.00 C ATOM 804 NE2 HIS A 49 13.221 -1.527 -7.231 1.00 0.00 N ATOM 0 H HIS A 49 9.116 2.856 -7.811 1.00 0.00 H new ATOM 0 HA HIS A 49 10.603 1.276 -9.693 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.621 2.472 -7.835 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.659 1.574 -6.678 1.00 0.00 H new ATOM 0 HD1 HIS A 49 13.683 1.077 -9.023 1.00 0.00 H new ATOM 0 HD2 HIS A 49 11.369 -0.969 -6.150 1.00 0.00 H new ATOM 0 HE1 HIS A 49 14.807 -1.202 -8.647 1.00 0.00 H new ATOM 812 N MET A 50 8.529 -0.383 -7.696 1.00 0.00 N ATOM 813 CA MET A 50 7.782 -1.627 -7.426 1.00 0.00 C ATOM 814 C MET A 50 7.235 -2.343 -8.672 1.00 0.00 C ATOM 815 O MET A 50 7.384 -3.560 -8.802 1.00 0.00 O ATOM 816 CB MET A 50 6.611 -1.357 -6.454 1.00 0.00 C ATOM 817 CG MET A 50 6.567 -2.353 -5.296 1.00 0.00 C ATOM 818 SD MET A 50 4.937 -2.630 -4.539 1.00 0.00 S ATOM 819 CE MET A 50 4.225 -0.966 -4.464 1.00 0.00 C ATOM 0 H MET A 50 8.276 0.352 -7.035 1.00 0.00 H new ATOM 0 HA MET A 50 8.519 -2.297 -6.984 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.700 -0.346 -6.056 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.670 -1.402 -7.003 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.947 -3.310 -5.653 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.251 -2.008 -4.521 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.262 -1.005 -3.955 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.898 -0.307 -3.916 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.086 -0.584 -5.475 1.00 0.00 H new ATOM 829 N THR A 51 6.577 -1.608 -9.576 1.00 0.00 N ATOM 830 CA THR A 51 5.994 -2.133 -10.825 1.00 0.00 C ATOM 831 C THR A 51 7.056 -2.680 -11.779 1.00 0.00 C ATOM 832 O THR A 51 6.931 -3.802 -12.278 1.00 0.00 O ATOM 833 CB THR A 51 5.172 -1.066 -11.565 1.00 0.00 C ATOM 834 OG1 THR A 51 5.880 0.150 -11.647 1.00 0.00 O ATOM 835 CG2 THR A 51 3.850 -0.788 -10.859 1.00 0.00 C ATOM 0 H THR A 51 6.429 -0.605 -9.460 1.00 0.00 H new ATOM 0 HA THR A 51 5.340 -2.949 -10.520 1.00 0.00 H new ATOM 0 HB THR A 51 4.981 -1.461 -12.563 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.338 0.813 -12.123 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.296 -0.029 -11.410 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.262 -1.705 -10.813 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.046 -0.432 -9.848 1.00 0.00 H new ATOM 843 N HIS A 52 8.091 -1.882 -12.052 1.00 0.00 N ATOM 844 CA HIS A 52 9.214 -2.201 -12.942 1.00 0.00 C ATOM 845 C HIS A 52 10.096 -3.335 -12.395 1.00 0.00 C ATOM 846 O HIS A 52 10.473 -4.235 -13.148 1.00 0.00 O ATOM 847 CB HIS A 52 10.017 -0.921 -13.213 1.00 0.00 C ATOM 848 CG HIS A 52 9.203 0.130 -13.931 1.00 0.00 C ATOM 849 ND1 HIS A 52 8.556 1.204 -13.347 1.00 0.00 N ATOM 850 CD2 HIS A 52 8.923 0.147 -15.268 1.00 0.00 C ATOM 851 CE1 HIS A 52 7.911 1.877 -14.319 1.00 0.00 C ATOM 852 NE2 HIS A 52 8.122 1.254 -15.499 1.00 0.00 N ATOM 0 H HIS A 52 8.174 -0.952 -11.640 1.00 0.00 H new ATOM 0 HA HIS A 52 8.816 -2.577 -13.884 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.377 -0.515 -12.268 1.00 0.00 H new ATOM 0 HB3 HIS A 52 10.896 -1.166 -13.810 1.00 0.00 H new ATOM 0 HD1 HIS A 52 8.566 1.444 -12.356 1.00 0.00 H new ATOM 0 HD2 HIS A 52 9.261 -0.566 -16.005 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.321 2.770 -14.178 1.00 0.00 H new ATOM 861 N CYS A 53 10.428 -3.289 -11.103 1.00 0.00 N ATOM 862 CA CYS A 53 11.229 -4.278 -10.387 1.00 0.00 C ATOM 863 C CYS A 53 10.527 -5.656 -10.346 1.00 0.00 C ATOM 864 O CYS A 53 9.337 -5.769 -10.027 1.00 0.00 O ATOM 865 CB CYS A 53 11.511 -3.705 -8.994 1.00 0.00 C ATOM 866 SG CYS A 53 12.445 -4.863 -7.940 1.00 0.00 S ATOM 0 H CYS A 53 10.130 -2.522 -10.500 1.00 0.00 H new ATOM 0 HA CYS A 53 12.173 -4.463 -10.900 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.072 -2.776 -9.093 1.00 0.00 H new ATOM 0 HB3 CYS A 53 10.567 -3.457 -8.509 1.00 0.00 H new ATOM 0 HG CYS A 53 12.258 -4.559 -6.690 1.00 0.00 H new ATOM 871 N GLN A 54 11.279 -6.711 -10.672 1.00 0.00 N ATOM 872 CA GLN A 54 10.837 -8.116 -10.704 1.00 0.00 C ATOM 873 C GLN A 54 11.613 -9.008 -9.715 1.00 0.00 C ATOM 874 O GLN A 54 11.325 -10.200 -9.584 1.00 0.00 O ATOM 875 CB GLN A 54 10.993 -8.662 -12.132 1.00 0.00 C ATOM 876 CG GLN A 54 10.115 -7.924 -13.155 1.00 0.00 C ATOM 877 CD GLN A 54 10.237 -8.535 -14.548 1.00 0.00 C ATOM 878 OE1 GLN A 54 9.441 -9.366 -14.968 1.00 0.00 O ATOM 879 NE2 GLN A 54 11.232 -8.152 -15.322 1.00 0.00 N ATOM 0 H GLN A 54 12.259 -6.608 -10.934 1.00 0.00 H new ATOM 0 HA GLN A 54 9.791 -8.139 -10.397 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.037 -8.583 -12.433 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.738 -9.722 -12.140 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.074 -7.958 -12.833 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.404 -6.874 -13.192 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.903 -7.461 -14.986 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.332 -8.547 -16.257 1.00 0.00 H new ATOM 888 N ALA A 55 12.600 -8.445 -9.013 1.00 0.00 N ATOM 889 CA ALA A 55 13.440 -9.141 -8.043 1.00 0.00 C ATOM 890 C ALA A 55 12.657 -9.565 -6.782 1.00 0.00 C ATOM 891 O ALA A 55 12.884 -10.661 -6.262 1.00 0.00 O ATOM 892 CB ALA A 55 14.639 -8.239 -7.738 1.00 0.00 C ATOM 0 H ALA A 55 12.842 -7.459 -9.110 1.00 0.00 H new ATOM 0 HA ALA A 55 13.796 -10.082 -8.461 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.289 -8.730 -7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.195 -8.050 -8.656 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.287 -7.293 -7.326 1.00 0.00 H new ATOM 898 N GLY A 56 11.736 -8.722 -6.293 1.00 0.00 N ATOM 899 CA GLY A 56 10.869 -8.973 -5.131 1.00 0.00 C ATOM 900 C GLY A 56 11.649 -9.319 -3.862 1.00 0.00 C ATOM 901 O GLY A 56 12.198 -8.437 -3.198 1.00 0.00 O ATOM 0 H GLY A 56 11.567 -7.808 -6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.257 -8.090 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.187 -9.790 -5.365 1.00 0.00 H new ATOM 905 N LYS A 57 11.733 -10.619 -3.551 1.00 0.00 N ATOM 906 CA LYS A 57 12.493 -11.193 -2.426 1.00 0.00 C ATOM 907 C LYS A 57 13.969 -10.766 -2.470 1.00 0.00 C ATOM 908 O LYS A 57 14.564 -10.461 -1.436 1.00 0.00 O ATOM 909 CB LYS A 57 12.413 -12.734 -2.469 1.00 0.00 C ATOM 910 CG LYS A 57 11.000 -13.340 -2.392 1.00 0.00 C ATOM 911 CD LYS A 57 10.296 -13.201 -1.033 1.00 0.00 C ATOM 912 CE LYS A 57 11.014 -14.011 0.054 1.00 0.00 C ATOM 913 NZ LYS A 57 10.125 -14.310 1.203 1.00 0.00 N ATOM 0 H LYS A 57 11.253 -11.333 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 57 12.050 -10.820 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.884 -13.077 -3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.003 -13.132 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.379 -12.869 -3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.063 -14.399 -2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.263 -12.150 -0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.264 -13.540 -1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.381 -14.944 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.885 -13.456 0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.687 -14.707 1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.662 -13.435 1.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.402 -14.999 0.912 1.00 0.00 H new ATOM 927 N ALA A 58 14.556 -10.783 -3.669 1.00 0.00 N ATOM 928 CA ALA A 58 15.957 -10.470 -3.944 1.00 0.00 C ATOM 929 C ALA A 58 16.313 -8.965 -3.962 1.00 0.00 C ATOM 930 O ALA A 58 17.499 -8.639 -3.841 1.00 0.00 O ATOM 931 CB ALA A 58 16.342 -11.154 -5.263 1.00 0.00 C ATOM 0 H ALA A 58 14.041 -11.028 -4.514 1.00 0.00 H new ATOM 0 HA ALA A 58 16.542 -10.854 -3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.385 -10.937 -5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.208 -12.231 -5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.707 -10.780 -6.066 1.00 0.00 H new ATOM 937 N CYS A 59 15.344 -8.048 -4.102 1.00 0.00 N ATOM 938 CA CYS A 59 15.617 -6.607 -4.111 1.00 0.00 C ATOM 939 C CYS A 59 16.091 -6.148 -2.715 1.00 0.00 C ATOM 940 O CYS A 59 15.415 -6.360 -1.700 1.00 0.00 O ATOM 941 CB CYS A 59 14.383 -5.830 -4.607 1.00 0.00 C ATOM 942 SG CYS A 59 14.861 -4.185 -5.255 1.00 0.00 S ATOM 0 H CYS A 59 14.358 -8.284 -4.211 1.00 0.00 H new ATOM 0 HA CYS A 59 16.425 -6.392 -4.810 1.00 0.00 H new ATOM 0 HB2 CYS A 59 13.879 -6.400 -5.388 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.671 -5.710 -3.790 1.00 0.00 H new ATOM 0 HG CYS A 59 13.816 -3.412 -5.290 1.00 0.00 H new ATOM 947 N GLN A 60 17.287 -5.556 -2.657 1.00 0.00 N ATOM 948 CA GLN A 60 17.931 -5.093 -1.421 1.00 0.00 C ATOM 949 C GLN A 60 17.197 -3.915 -0.755 1.00 0.00 C ATOM 950 O GLN A 60 17.299 -3.730 0.461 1.00 0.00 O ATOM 951 CB GLN A 60 19.398 -4.724 -1.698 1.00 0.00 C ATOM 952 CG GLN A 60 20.231 -5.936 -2.148 1.00 0.00 C ATOM 953 CD GLN A 60 21.706 -5.577 -2.313 1.00 0.00 C ATOM 954 OE1 GLN A 60 22.536 -5.815 -1.444 1.00 0.00 O ATOM 955 NE2 GLN A 60 22.096 -4.990 -3.426 1.00 0.00 N ATOM 0 H GLN A 60 17.850 -5.380 -3.489 1.00 0.00 H new ATOM 0 HA GLN A 60 17.885 -5.921 -0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.437 -3.953 -2.468 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.839 -4.297 -0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.131 -6.738 -1.417 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.841 -6.315 -3.092 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.417 -4.785 -4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.077 -4.741 -3.554 1.00 0.00 H new ATOM 964 N VAL A 61 16.464 -3.111 -1.534 1.00 0.00 N ATOM 965 CA VAL A 61 15.691 -1.950 -1.064 1.00 0.00 C ATOM 966 C VAL A 61 14.560 -2.407 -0.129 1.00 0.00 C ATOM 967 O VAL A 61 13.659 -3.144 -0.528 1.00 0.00 O ATOM 968 CB VAL A 61 15.130 -1.138 -2.252 1.00 0.00 C ATOM 969 CG1 VAL A 61 14.392 0.121 -1.771 1.00 0.00 C ATOM 970 CG2 VAL A 61 16.246 -0.677 -3.203 1.00 0.00 C ATOM 0 H VAL A 61 16.389 -3.253 -2.541 1.00 0.00 H new ATOM 0 HA VAL A 61 16.360 -1.297 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 61 14.445 -1.806 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.010 0.670 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.562 -0.168 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.081 0.755 -1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.811 -0.109 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.950 -0.047 -2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.769 -1.547 -3.599 1.00 0.00 H new ATOM 980 N ALA A 62 14.606 -1.952 1.128 1.00 0.00 N ATOM 981 CA ALA A 62 13.634 -2.258 2.183 1.00 0.00 C ATOM 982 C ALA A 62 12.181 -2.032 1.725 1.00 0.00 C ATOM 983 O ALA A 62 11.360 -2.951 1.672 1.00 0.00 O ATOM 984 CB ALA A 62 13.995 -1.397 3.403 1.00 0.00 C ATOM 0 H ALA A 62 15.352 -1.336 1.451 1.00 0.00 H new ATOM 0 HA ALA A 62 13.687 -3.316 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.292 -1.598 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.005 -1.639 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.945 -0.342 3.132 1.00 0.00 H new ATOM 990 N HIS A 63 11.877 -0.780 1.368 1.00 0.00 N ATOM 991 CA HIS A 63 10.569 -0.313 0.898 1.00 0.00 C ATOM 992 C HIS A 63 10.003 -1.163 -0.250 1.00 0.00 C ATOM 993 O HIS A 63 8.830 -1.525 -0.208 1.00 0.00 O ATOM 994 CB HIS A 63 10.660 1.178 0.548 1.00 0.00 C ATOM 995 CG HIS A 63 11.209 2.023 1.675 1.00 0.00 C ATOM 996 ND1 HIS A 63 12.488 2.549 1.761 1.00 0.00 N ATOM 997 CD2 HIS A 63 10.558 2.297 2.844 1.00 0.00 C ATOM 998 CE1 HIS A 63 12.619 3.097 2.989 1.00 0.00 C ATOM 999 NE2 HIS A 63 11.463 2.940 3.669 1.00 0.00 N ATOM 0 H HIS A 63 12.568 -0.030 1.400 1.00 0.00 H new ATOM 0 HA HIS A 63 9.849 -0.437 1.707 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.293 1.300 -0.331 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.669 1.542 0.279 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.532 2.057 3.079 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.507 3.583 3.366 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.287 3.244 4.627 1.00 0.00 H new ATOM 1008 N CYS A 64 10.817 -1.507 -1.251 1.00 0.00 N ATOM 1009 CA CYS A 64 10.455 -2.356 -2.392 1.00 0.00 C ATOM 1010 C CYS A 64 9.979 -3.755 -1.927 1.00 0.00 C ATOM 1011 O CYS A 64 8.894 -4.228 -2.293 1.00 0.00 O ATOM 1012 CB CYS A 64 11.689 -2.424 -3.308 1.00 0.00 C ATOM 1013 SG CYS A 64 11.325 -3.270 -4.869 1.00 0.00 S ATOM 0 H CYS A 64 11.786 -1.190 -1.292 1.00 0.00 H new ATOM 0 HA CYS A 64 9.612 -1.937 -2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 64 12.043 -1.414 -3.516 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.496 -2.945 -2.792 1.00 0.00 H new ATOM 0 HG CYS A 64 10.383 -2.632 -5.499 1.00 0.00 H new ATOM 1018 N ALA A 65 10.779 -4.412 -1.081 1.00 0.00 N ATOM 1019 CA ALA A 65 10.484 -5.717 -0.496 1.00 0.00 C ATOM 1020 C ALA A 65 9.180 -5.708 0.338 1.00 0.00 C ATOM 1021 O ALA A 65 8.315 -6.567 0.144 1.00 0.00 O ATOM 1022 CB ALA A 65 11.705 -6.170 0.314 1.00 0.00 C ATOM 0 H ALA A 65 11.677 -4.035 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 65 10.298 -6.438 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.505 -7.144 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.571 -6.243 -0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.908 -5.445 1.102 1.00 0.00 H new ATOM 1028 N SER A 66 9.029 -4.752 1.263 1.00 0.00 N ATOM 1029 CA SER A 66 7.839 -4.612 2.122 1.00 0.00 C ATOM 1030 C SER A 66 6.563 -4.212 1.366 1.00 0.00 C ATOM 1031 O SER A 66 5.528 -4.846 1.571 1.00 0.00 O ATOM 1032 CB SER A 66 8.082 -3.663 3.304 1.00 0.00 C ATOM 1033 OG SER A 66 8.631 -2.413 2.924 1.00 0.00 O ATOM 0 H SER A 66 9.739 -4.042 1.441 1.00 0.00 H new ATOM 0 HA SER A 66 7.666 -5.615 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.139 -3.493 3.823 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.754 -4.145 4.014 1.00 0.00 H new ATOM 0 HG SER A 66 9.565 -2.535 2.652 1.00 0.00 H new ATOM 1039 N SER A 67 6.595 -3.179 0.516 1.00 0.00 N ATOM 1040 CA SER A 67 5.438 -2.665 -0.248 1.00 0.00 C ATOM 1041 C SER A 67 4.673 -3.719 -1.057 1.00 0.00 C ATOM 1042 O SER A 67 3.441 -3.692 -1.075 1.00 0.00 O ATOM 1043 CB SER A 67 5.792 -1.452 -1.112 1.00 0.00 C ATOM 1044 OG SER A 67 6.861 -1.721 -1.984 1.00 0.00 O ATOM 0 H SER A 67 7.451 -2.657 0.331 1.00 0.00 H new ATOM 0 HA SER A 67 4.745 -2.338 0.527 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.919 -1.152 -1.691 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.052 -0.612 -0.468 1.00 0.00 H new ATOM 0 HG SER A 67 7.694 -1.785 -1.471 1.00 0.00 H new ATOM 1050 N ARG A 68 5.346 -4.689 -1.690 1.00 0.00 N ATOM 1051 CA ARG A 68 4.644 -5.795 -2.374 1.00 0.00 C ATOM 1052 C ARG A 68 3.815 -6.606 -1.378 1.00 0.00 C ATOM 1053 O ARG A 68 2.643 -6.883 -1.627 1.00 0.00 O ATOM 1054 CB ARG A 68 5.623 -6.698 -3.126 1.00 0.00 C ATOM 1055 CG ARG A 68 6.206 -5.999 -4.355 1.00 0.00 C ATOM 1056 CD ARG A 68 7.014 -7.009 -5.172 1.00 0.00 C ATOM 1057 NE ARG A 68 7.752 -6.357 -6.263 1.00 0.00 N ATOM 1058 CZ ARG A 68 8.917 -5.748 -6.152 1.00 0.00 C ATOM 1059 NH1 ARG A 68 9.502 -5.566 -5.015 1.00 0.00 N ATOM 1060 NH2 ARG A 68 9.531 -5.307 -7.195 1.00 0.00 N ATOM 0 H ARG A 68 6.363 -4.735 -1.746 1.00 0.00 H new ATOM 0 HA ARG A 68 3.969 -5.356 -3.108 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.432 -6.994 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.113 -7.611 -3.434 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.405 -5.579 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.842 -5.169 -4.048 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.714 -7.529 -4.518 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.344 -7.763 -5.585 1.00 0.00 H new ATOM 0 HE ARG A 68 7.325 -6.377 -7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.063 -5.899 -4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.403 -5.090 -4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.117 -5.427 -8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.431 -4.838 -7.096 1.00 0.00 H new ATOM 1074 N GLN A 69 4.415 -6.970 -0.244 1.00 0.00 N ATOM 1075 CA GLN A 69 3.814 -7.735 0.854 1.00 0.00 C ATOM 1076 C GLN A 69 2.507 -7.103 1.364 1.00 0.00 C ATOM 1077 O GLN A 69 1.480 -7.778 1.404 1.00 0.00 O ATOM 1078 CB GLN A 69 4.851 -7.897 1.982 1.00 0.00 C ATOM 1079 CG GLN A 69 4.847 -9.276 2.654 1.00 0.00 C ATOM 1080 CD GLN A 69 3.619 -9.669 3.480 1.00 0.00 C ATOM 1081 OE1 GLN A 69 3.312 -10.842 3.614 1.00 0.00 O ATOM 1082 NE2 GLN A 69 2.885 -8.765 4.095 1.00 0.00 N ATOM 0 H GLN A 69 5.387 -6.726 -0.055 1.00 0.00 H new ATOM 0 HA GLN A 69 3.536 -8.720 0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.844 -7.707 1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.666 -7.136 2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.980 -10.027 1.876 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.720 -9.333 3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.113 -7.775 4.005 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.088 -9.055 4.662 1.00 0.00 H new ATOM 1091 N ILE A 70 2.522 -5.820 1.755 1.00 0.00 N ATOM 1092 CA ILE A 70 1.322 -5.114 2.255 1.00 0.00 C ATOM 1093 C ILE A 70 0.136 -5.163 1.272 1.00 0.00 C ATOM 1094 O ILE A 70 -0.995 -5.416 1.691 1.00 0.00 O ATOM 1095 CB ILE A 70 1.608 -3.672 2.760 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.714 -2.907 2.023 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.883 -3.729 4.272 1.00 0.00 C ATOM 1098 CD1 ILE A 70 2.842 -1.420 2.381 1.00 0.00 C ATOM 0 H ILE A 70 3.361 -5.240 1.736 1.00 0.00 H new ATOM 0 HA ILE A 70 1.017 -5.680 3.135 1.00 0.00 H new ATOM 0 HB ILE A 70 0.714 -3.090 2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.667 -3.395 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.537 -2.990 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.086 -2.724 4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.012 -4.136 4.785 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.746 -4.367 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.653 -0.975 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.908 -0.908 2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.056 -1.319 3.445 1.00 0.00 H new ATOM 1110 N ILE A 71 0.374 -4.964 -0.029 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.680 -5.053 -1.061 1.00 0.00 C ATOM 1112 C ILE A 71 -1.120 -6.505 -1.282 1.00 0.00 C ATOM 1113 O ILE A 71 -2.319 -6.768 -1.397 1.00 0.00 O ATOM 1114 CB ILE A 71 -0.248 -4.337 -2.356 1.00 0.00 C ATOM 1115 CG1 ILE A 71 0.111 -2.864 -2.063 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -1.336 -4.395 -3.443 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -0.908 -2.087 -1.203 1.00 0.00 C ATOM 0 H ILE A 71 1.296 -4.737 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.564 -4.525 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 71 0.630 -4.862 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.078 -2.838 -1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.231 -2.342 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.986 -3.877 -4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.551 -5.435 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.243 -3.913 -3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.558 -1.065 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.874 -2.072 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.013 -2.575 -0.234 1.00 0.00 H new ATOM 1129 N SER A 72 -0.173 -7.451 -1.276 1.00 0.00 N ATOM 1130 CA SER A 72 -0.450 -8.895 -1.343 1.00 0.00 C ATOM 1131 C SER A 72 -1.438 -9.285 -0.242 1.00 0.00 C ATOM 1132 O SER A 72 -2.428 -9.964 -0.519 1.00 0.00 O ATOM 1133 CB SER A 72 0.819 -9.745 -1.196 1.00 0.00 C ATOM 1134 OG SER A 72 1.814 -9.386 -2.128 1.00 0.00 O ATOM 0 H SER A 72 0.822 -7.234 -1.224 1.00 0.00 H new ATOM 0 HA SER A 72 -0.873 -9.092 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.213 -9.634 -0.186 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.566 -10.797 -1.325 1.00 0.00 H new ATOM 0 HG SER A 72 2.184 -8.510 -1.890 1.00 0.00 H new ATOM 1140 N HIS A 73 -1.186 -8.833 0.994 1.00 0.00 N ATOM 1141 CA HIS A 73 -2.062 -9.048 2.142 1.00 0.00 C ATOM 1142 C HIS A 73 -3.451 -8.471 1.848 1.00 0.00 C ATOM 1143 O HIS A 73 -4.403 -9.243 1.793 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.452 -8.476 3.437 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.238 -8.822 4.690 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -1.779 -9.578 5.745 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.530 -8.458 4.987 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -2.779 -9.685 6.642 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -3.873 -9.016 6.228 1.00 0.00 N ATOM 0 H HIS A 73 -0.349 -8.297 1.223 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.169 -10.120 2.307 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.434 -8.849 3.544 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.386 -7.392 3.348 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.848 -9.985 5.832 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.172 -7.847 4.370 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.712 -10.234 7.570 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.584 -7.151 1.643 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.884 -6.503 1.411 1.00 0.00 C ATOM 1159 C TRP A 74 -5.746 -7.171 0.326 1.00 0.00 C ATOM 1160 O TRP A 74 -6.941 -7.390 0.544 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.743 -4.994 1.151 1.00 0.00 C ATOM 1162 CG TRP A 74 -6.049 -4.247 1.221 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -6.962 -4.405 2.206 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.630 -3.258 0.309 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -8.066 -3.611 1.968 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.908 -2.868 0.821 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -6.217 -2.639 -0.892 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.718 -1.909 0.193 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -7.018 -1.664 -1.522 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -8.260 -1.290 -0.977 1.00 0.00 C ATOM 0 H TRP A 74 -2.795 -6.504 1.633 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.426 -6.642 2.346 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.052 -4.571 1.880 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.300 -4.843 0.167 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.844 -5.059 3.057 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.892 -3.579 2.565 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.272 -2.917 -1.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.682 -1.652 0.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.674 -1.199 -2.434 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.857 -0.530 -1.458 1.00 0.00 H new ATOM 1181 N LYS A 75 -5.167 -7.507 -0.838 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.892 -8.170 -1.936 1.00 0.00 C ATOM 1183 C LYS A 75 -6.451 -9.545 -1.525 1.00 0.00 C ATOM 1184 O LYS A 75 -7.631 -9.822 -1.746 1.00 0.00 O ATOM 1185 CB LYS A 75 -5.015 -8.256 -3.201 1.00 0.00 C ATOM 1186 CG LYS A 75 -5.896 -8.595 -4.417 1.00 0.00 C ATOM 1187 CD LYS A 75 -5.108 -8.854 -5.705 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.117 -9.207 -6.808 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.474 -9.805 -8.007 1.00 0.00 N ATOM 0 H LYS A 75 -4.185 -7.327 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.758 -7.552 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.501 -7.309 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.246 -9.018 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.493 -9.477 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.592 -7.774 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.530 -7.973 -5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.398 -9.668 -5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.854 -9.905 -6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.657 -8.307 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.160 -10.407 -8.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.153 -9.047 -8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.658 -10.380 -7.713 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.610 -10.412 -0.954 1.00 0.00 N ATOM 1204 CA ASN A 76 -5.978 -11.768 -0.520 1.00 0.00 C ATOM 1205 C ASN A 76 -6.904 -11.804 0.711 1.00 0.00 C ATOM 1206 O ASN A 76 -7.833 -12.617 0.753 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.704 -12.581 -0.250 1.00 0.00 C ATOM 1208 CG ASN A 76 -4.026 -13.033 -1.533 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -4.389 -14.034 -2.136 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -3.039 -12.309 -2.004 1.00 0.00 N ATOM 0 H ASN A 76 -4.631 -10.188 -0.775 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.552 -12.210 -1.334 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.008 -11.978 0.333 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.954 -13.454 0.353 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.576 -12.581 -2.871 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.735 -11.474 -1.503 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.632 -10.976 1.722 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.353 -10.919 2.989 1.00 0.00 C ATOM 1219 C CYS A 77 -8.867 -10.694 2.805 1.00 0.00 C ATOM 1220 O CYS A 77 -9.326 -9.812 2.070 1.00 0.00 O ATOM 1221 CB CYS A 77 -6.698 -9.861 3.890 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.234 -10.020 5.625 1.00 0.00 S ATOM 0 H CYS A 77 -5.870 -10.299 1.675 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.278 -11.890 3.479 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.614 -9.958 3.835 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.948 -8.866 3.522 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.438 -8.838 6.126 1.00 0.00 H new ATOM 1227 N THR A 78 -9.640 -11.536 3.491 1.00 0.00 N ATOM 1228 CA THR A 78 -11.110 -11.556 3.515 1.00 0.00 C ATOM 1229 C THR A 78 -11.656 -11.665 4.950 1.00 0.00 C ATOM 1230 O THR A 78 -12.864 -11.826 5.162 1.00 0.00 O ATOM 1231 CB THR A 78 -11.630 -12.653 2.565 1.00 0.00 C ATOM 1232 OG1 THR A 78 -13.028 -12.560 2.383 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.295 -14.078 3.015 1.00 0.00 C ATOM 0 H THR A 78 -9.238 -12.266 4.080 1.00 0.00 H new ATOM 0 HA THR A 78 -11.491 -10.604 3.144 1.00 0.00 H new ATOM 0 HB THR A 78 -11.109 -12.469 1.626 1.00 0.00 H new ATOM 0 HG1 THR A 78 -13.453 -12.322 3.233 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.695 -14.791 2.294 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.213 -14.195 3.078 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.738 -14.264 3.993 1.00 0.00 H new ATOM 1241 N ARG A 79 -10.782 -11.520 5.960 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.125 -11.504 7.388 1.00 0.00 C ATOM 1243 C ARG A 79 -12.073 -10.328 7.639 1.00 0.00 C ATOM 1244 O ARG A 79 -11.730 -9.170 7.394 1.00 0.00 O ATOM 1245 CB ARG A 79 -9.832 -11.409 8.222 1.00 0.00 C ATOM 1246 CG ARG A 79 -10.109 -11.334 9.730 1.00 0.00 C ATOM 1247 CD ARG A 79 -8.834 -11.100 10.546 1.00 0.00 C ATOM 1248 NE ARG A 79 -9.175 -10.694 11.920 1.00 0.00 N ATOM 1249 CZ ARG A 79 -8.367 -10.219 12.846 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -7.079 -10.124 12.662 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -8.843 -9.825 13.991 1.00 0.00 N ATOM 0 H ARG A 79 -9.782 -11.407 5.796 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.633 -12.421 7.687 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.205 -12.276 8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.269 -10.527 7.915 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.816 -10.529 9.927 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.581 -12.260 10.057 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.235 -12.010 10.566 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.227 -10.329 10.072 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.155 -10.792 12.187 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.667 -10.423 11.778 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.484 -9.751 13.402 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.845 -9.883 14.174 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.214 -9.458 14.705 1.00 0.00 H new ATOM 1265 N HIS A 80 -13.280 -10.631 8.120 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.365 -9.663 8.367 1.00 0.00 C ATOM 1267 C HIS A 80 -14.072 -8.624 9.471 1.00 0.00 C ATOM 1268 O HIS A 80 -14.904 -7.753 9.720 1.00 0.00 O ATOM 1269 CB HIS A 80 -15.668 -10.436 8.646 1.00 0.00 C ATOM 1270 CG HIS A 80 -16.182 -11.316 7.522 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -15.516 -11.709 6.367 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -17.426 -11.883 7.497 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -16.347 -12.504 5.663 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -17.515 -12.622 6.328 1.00 0.00 N ATOM 0 H HIS A 80 -13.544 -11.587 8.358 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.464 -9.061 7.463 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.513 -11.060 9.526 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.446 -9.715 8.899 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -14.568 -11.443 6.100 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -18.195 -11.775 8.248 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.115 -12.972 4.718 1.00 0.00 H new ATOM 1283 N ASP A 81 -12.918 -8.700 10.139 1.00 0.00 N ATOM 1284 CA ASP A 81 -12.486 -7.792 11.209 1.00 0.00 C ATOM 1285 C ASP A 81 -10.962 -7.507 11.245 1.00 0.00 C ATOM 1286 O ASP A 81 -10.450 -7.114 12.299 1.00 0.00 O ATOM 1287 CB ASP A 81 -12.986 -8.343 12.564 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.150 -9.525 13.091 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -11.976 -10.529 12.362 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -11.632 -9.462 14.231 1.00 0.00 O ATOM 0 H ASP A 81 -12.229 -9.426 9.942 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.934 -6.821 10.999 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.972 -7.540 13.301 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.023 -8.660 12.458 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.221 -7.651 10.130 1.00 0.00 N ATOM 1296 CA CYS A 82 -8.781 -7.334 10.102 1.00 0.00 C ATOM 1297 C CYS A 82 -8.613 -5.826 10.437 1.00 0.00 C ATOM 1298 O CYS A 82 -9.376 -5.004 9.907 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.186 -7.666 8.719 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.425 -8.175 8.730 1.00 0.00 S ATOM 0 H CYS A 82 -10.594 -7.983 9.241 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.245 -7.934 10.838 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.776 -8.465 8.270 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.291 -6.792 8.076 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.187 -8.936 7.703 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.668 -5.422 11.306 1.00 0.00 N ATOM 1306 CA PRO A 83 -7.496 -4.033 11.753 1.00 0.00 C ATOM 1307 C PRO A 83 -7.211 -2.987 10.660 1.00 0.00 C ATOM 1308 O PRO A 83 -7.284 -1.791 10.951 1.00 0.00 O ATOM 1309 CB PRO A 83 -6.376 -4.077 12.801 1.00 0.00 C ATOM 1310 CG PRO A 83 -5.601 -5.338 12.426 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.713 -6.279 11.986 1.00 0.00 C ATOM 0 HA PRO A 83 -8.449 -3.681 12.149 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.746 -3.188 12.756 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.774 -4.135 13.814 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.884 -5.153 11.626 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.040 -5.737 13.271 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.335 -7.057 11.322 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.168 -6.782 12.839 1.00 0.00 H new ATOM 1319 N VAL A 84 -6.898 -3.396 9.424 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.607 -2.487 8.298 1.00 0.00 C ATOM 1321 C VAL A 84 -7.506 -2.793 7.096 1.00 0.00 C ATOM 1322 O VAL A 84 -8.151 -1.892 6.559 1.00 0.00 O ATOM 1323 CB VAL A 84 -5.125 -2.495 7.869 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.785 -1.104 7.318 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -4.156 -2.833 9.006 1.00 0.00 C ATOM 0 H VAL A 84 -6.838 -4.382 9.170 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.823 -1.483 8.665 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.005 -3.278 7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.741 -1.081 7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.424 -0.886 6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.949 -0.356 8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.133 -2.819 8.629 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.259 -2.096 9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.385 -3.824 9.397 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.555 -4.053 6.663 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.323 -4.538 5.526 1.00 0.00 C ATOM 1337 C CYS A 85 -9.822 -4.192 5.616 1.00 0.00 C ATOM 1338 O CYS A 85 -10.379 -3.661 4.652 1.00 0.00 O ATOM 1339 CB CYS A 85 -8.070 -6.050 5.381 1.00 0.00 C ATOM 1340 SG CYS A 85 -6.294 -6.462 5.546 1.00 0.00 S ATOM 0 H CYS A 85 -7.031 -4.798 7.123 1.00 0.00 H new ATOM 0 HA CYS A 85 -7.984 -4.026 4.626 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.640 -6.588 6.139 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.433 -6.388 4.410 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.102 -7.121 6.650 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.466 -4.470 6.759 1.00 0.00 N ATOM 1346 CA LEU A 86 -11.881 -4.169 7.012 1.00 0.00 C ATOM 1347 C LEU A 86 -12.215 -2.679 6.783 1.00 0.00 C ATOM 1348 O LEU A 86 -13.036 -2.409 5.902 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.311 -4.717 8.391 1.00 0.00 C ATOM 1350 CG LEU A 86 -13.808 -4.630 8.757 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.315 -3.225 9.091 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -14.701 -5.240 7.678 1.00 0.00 C ATOM 0 H LEU A 86 -10.006 -4.920 7.550 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.487 -4.693 6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.012 -5.764 8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.746 -4.184 9.156 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.876 -5.215 9.674 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.377 -3.270 9.334 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.763 -2.833 9.945 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.167 -2.571 8.232 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.745 -5.156 7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.551 -4.709 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.445 -6.291 7.546 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.628 -1.701 7.511 1.00 0.00 N ATOM 1365 CA PRO A 87 -11.942 -0.286 7.304 1.00 0.00 C ATOM 1366 C PRO A 87 -11.624 0.197 5.879 1.00 0.00 C ATOM 1367 O PRO A 87 -12.407 0.956 5.309 1.00 0.00 O ATOM 1368 CB PRO A 87 -11.201 0.473 8.404 1.00 0.00 C ATOM 1369 CG PRO A 87 -10.043 -0.441 8.786 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.655 -1.830 8.592 1.00 0.00 C ATOM 0 HA PRO A 87 -13.014 -0.102 7.381 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.843 1.439 8.048 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.850 0.669 9.257 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.173 -0.286 8.148 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.717 -0.279 9.813 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.887 -2.561 8.339 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -11.135 -2.175 9.508 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.519 -0.253 5.268 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.179 0.066 3.873 1.00 0.00 C ATOM 1380 C LEU A 88 -11.269 -0.413 2.897 1.00 0.00 C ATOM 1381 O LEU A 88 -11.678 0.346 2.015 1.00 0.00 O ATOM 1382 CB LEU A 88 -8.818 -0.531 3.513 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.618 0.201 4.129 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.371 -0.621 3.834 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.429 1.604 3.543 1.00 0.00 C ATOM 0 H LEU A 88 -9.833 -0.851 5.729 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.121 1.150 3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.796 -1.572 3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.710 -0.530 2.428 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.794 0.312 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.499 -0.125 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.476 -1.612 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.244 -0.715 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.568 2.081 4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.263 1.530 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.321 2.201 3.732 1.00 0.00 H new ATOM 1397 N LYS A 89 -11.755 -1.653 3.058 1.00 0.00 N ATOM 1398 CA LYS A 89 -12.851 -2.233 2.265 1.00 0.00 C ATOM 1399 C LYS A 89 -14.137 -1.417 2.445 1.00 0.00 C ATOM 1400 O LYS A 89 -14.729 -0.969 1.462 1.00 0.00 O ATOM 1401 CB LYS A 89 -13.061 -3.708 2.655 1.00 0.00 C ATOM 1402 CG LYS A 89 -14.122 -4.391 1.777 1.00 0.00 C ATOM 1403 CD LYS A 89 -14.540 -5.741 2.364 1.00 0.00 C ATOM 1404 CE LYS A 89 -15.516 -6.439 1.409 1.00 0.00 C ATOM 1405 NZ LYS A 89 -15.953 -7.760 1.934 1.00 0.00 N ATOM 0 H LYS A 89 -11.389 -2.296 3.760 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.584 -2.196 1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.116 -4.245 2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.363 -3.767 3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.995 -3.744 1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.728 -4.535 0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.662 -6.367 2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.009 -5.596 3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.388 -5.804 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.040 -6.573 0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.612 -8.201 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.124 -8.375 2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.429 -7.629 2.849 1.00 0.00 H new ATOM 1731 N GLY B 114 8.315 7.632 12.011 1.00 0.00 N ATOM 1732 CA GLY B 114 8.902 8.338 10.871 1.00 0.00 C ATOM 1733 C GLY B 114 8.576 7.527 9.615 1.00 0.00 C ATOM 1734 O GLY B 114 7.408 7.406 9.232 1.00 0.00 O ATOM 0 HA2 GLY B 114 8.496 9.346 10.793 1.00 0.00 H new ATOM 0 HA3 GLY B 114 9.980 8.438 10.995 1.00 0.00 H new ATOM 1738 N LEU B 115 9.594 6.891 9.039 1.00 0.00 N ATOM 1739 CA LEU B 115 9.493 5.908 7.961 1.00 0.00 C ATOM 1740 C LEU B 115 10.427 4.739 8.319 1.00 0.00 C ATOM 1741 O LEU B 115 11.630 4.967 8.497 1.00 0.00 O ATOM 1742 CB LEU B 115 9.875 6.491 6.589 1.00 0.00 C ATOM 1743 CG LEU B 115 8.745 7.232 5.860 1.00 0.00 C ATOM 1744 CD1 LEU B 115 9.265 7.697 4.502 1.00 0.00 C ATOM 1745 CD2 LEU B 115 7.522 6.338 5.611 1.00 0.00 C ATOM 0 H LEU B 115 10.559 7.055 9.325 1.00 0.00 H new ATOM 0 HA LEU B 115 8.457 5.582 7.873 1.00 0.00 H new ATOM 0 HB2 LEU B 115 10.711 7.177 6.723 1.00 0.00 H new ATOM 0 HB3 LEU B 115 10.227 5.680 5.952 1.00 0.00 H new ATOM 0 HG LEU B 115 8.438 8.065 6.492 1.00 0.00 H new ATOM 0 HD11 LEU B 115 8.473 8.226 3.971 1.00 0.00 H new ATOM 0 HD12 LEU B 115 10.114 8.365 4.647 1.00 0.00 H new ATOM 0 HD13 LEU B 115 9.579 6.832 3.917 1.00 0.00 H new ATOM 0 HD21 LEU B 115 6.752 6.910 5.093 1.00 0.00 H new ATOM 0 HD22 LEU B 115 7.814 5.485 4.999 1.00 0.00 H new ATOM 0 HD23 LEU B 115 7.130 5.983 6.564 1.00 0.00 H new ATOM 1757 N PRO B 116 9.913 3.504 8.445 1.00 0.00 N ATOM 1758 CA PRO B 116 10.731 2.352 8.801 1.00 0.00 C ATOM 1759 C PRO B 116 11.490 1.797 7.589 1.00 0.00 C ATOM 1760 O PRO B 116 11.364 2.279 6.458 1.00 0.00 O ATOM 1761 CB PRO B 116 9.712 1.341 9.334 1.00 0.00 C ATOM 1762 CG PRO B 116 8.509 1.572 8.421 1.00 0.00 C ATOM 1763 CD PRO B 116 8.521 3.094 8.267 1.00 0.00 C ATOM 0 HA PRO B 116 11.506 2.597 9.527 1.00 0.00 H new ATOM 0 HB2 PRO B 116 10.082 0.318 9.267 1.00 0.00 H new ATOM 0 HB3 PRO B 116 9.468 1.524 10.381 1.00 0.00 H new ATOM 0 HG2 PRO B 116 8.619 1.063 7.463 1.00 0.00 H new ATOM 0 HG3 PRO B 116 7.582 1.214 8.868 1.00 0.00 H new ATOM 0 HD2 PRO B 116 8.149 3.390 7.286 1.00 0.00 H new ATOM 0 HD3 PRO B 116 7.877 3.567 9.008 1.00 0.00 H new ATOM 1771 N GLN B 117 12.235 0.719 7.832 1.00 0.00 N ATOM 1772 CA GLN B 117 12.929 -0.078 6.822 1.00 0.00 C ATOM 1773 C GLN B 117 12.466 -1.534 6.961 1.00 0.00 C ATOM 1774 O GLN B 117 13.256 -2.462 7.144 1.00 0.00 O ATOM 1775 CB GLN B 117 14.453 0.113 6.916 1.00 0.00 C ATOM 1776 CG GLN B 117 14.879 1.479 6.365 1.00 0.00 C ATOM 1777 CD GLN B 117 16.385 1.697 6.489 1.00 0.00 C ATOM 1778 OE1 GLN B 117 16.880 2.305 7.431 1.00 0.00 O ATOM 1779 NE2 GLN B 117 17.177 1.218 5.551 1.00 0.00 N ATOM 0 H GLN B 117 12.377 0.363 8.777 1.00 0.00 H new ATOM 0 HA GLN B 117 12.674 0.256 5.816 1.00 0.00 H new ATOM 0 HB2 GLN B 117 14.769 0.023 7.955 1.00 0.00 H new ATOM 0 HB3 GLN B 117 14.956 -0.678 6.360 1.00 0.00 H new ATOM 0 HG2 GLN B 117 14.586 1.556 5.318 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.352 2.268 6.902 1.00 0.00 H new ATOM 0 HE21 GLN B 117 16.781 0.710 4.760 1.00 0.00 H new ATOM 0 HE22 GLN B 117 18.186 1.356 5.616 1.00 0.00 H new ATOM 1788 N LEU B 118 11.145 -1.716 6.840 1.00 0.00 N ATOM 1789 CA LEU B 118 10.495 -3.026 6.830 1.00 0.00 C ATOM 1790 C LEU B 118 10.947 -3.786 5.578 1.00 0.00 C ATOM 1791 O LEU B 118 11.249 -3.184 4.547 1.00 0.00 O ATOM 1792 CB LEU B 118 8.965 -2.870 6.804 1.00 0.00 C ATOM 1793 CG LEU B 118 8.336 -2.277 8.073 1.00 0.00 C ATOM 1794 CD1 LEU B 118 6.870 -1.967 7.794 1.00 0.00 C ATOM 1795 CD2 LEU B 118 8.400 -3.220 9.273 1.00 0.00 C ATOM 0 H LEU B 118 10.489 -0.941 6.745 1.00 0.00 H new ATOM 0 HA LEU B 118 10.773 -3.572 7.731 1.00 0.00 H new ATOM 0 HB2 LEU B 118 8.697 -2.238 5.958 1.00 0.00 H new ATOM 0 HB3 LEU B 118 8.521 -3.849 6.624 1.00 0.00 H new ATOM 0 HG LEU B 118 8.906 -1.383 8.323 1.00 0.00 H new ATOM 0 HD11 LEU B 118 6.411 -1.545 8.688 1.00 0.00 H new ATOM 0 HD12 LEU B 118 6.799 -1.250 6.976 1.00 0.00 H new ATOM 0 HD13 LEU B 118 6.350 -2.884 7.518 1.00 0.00 H new ATOM 0 HD21 LEU B 118 7.939 -2.741 10.137 1.00 0.00 H new ATOM 0 HD22 LEU B 118 7.866 -4.141 9.041 1.00 0.00 H new ATOM 0 HD23 LEU B 118 9.441 -3.451 9.499 1.00 0.00 H new ATOM 1807 N THR B 119 10.967 -5.108 5.657 1.00 0.00 N ATOM 1808 CA THR B 119 11.363 -6.004 4.564 1.00 0.00 C ATOM 1809 C THR B 119 10.242 -6.986 4.237 1.00 0.00 C ATOM 1810 O THR B 119 9.242 -7.072 4.955 1.00 0.00 O ATOM 1811 CB THR B 119 12.648 -6.767 4.936 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.432 -7.552 6.094 1.00 0.00 O ATOM 1813 CG2 THR B 119 13.826 -5.821 5.189 1.00 0.00 C ATOM 0 H THR B 119 10.702 -5.608 6.505 1.00 0.00 H new ATOM 0 HA THR B 119 11.558 -5.398 3.679 1.00 0.00 H new ATOM 0 HB THR B 119 12.897 -7.405 4.088 1.00 0.00 H new ATOM 0 HG1 THR B 119 13.255 -8.034 6.321 1.00 0.00 H new ATOM 0 HG21 THR B 119 14.711 -6.403 5.448 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.025 -5.239 4.289 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.582 -5.147 6.010 1.00 0.00 H new ATOM 1821 N SER B 120 10.420 -7.766 3.168 1.00 0.00 N ATOM 1822 CA SER B 120 9.511 -8.850 2.781 1.00 0.00 C ATOM 1823 C SER B 120 9.331 -9.796 3.974 1.00 0.00 C ATOM 1824 O SER B 120 8.207 -10.013 4.421 1.00 0.00 O ATOM 1825 CB SER B 120 10.052 -9.577 1.543 1.00 0.00 C ATOM 1826 OG SER B 120 11.433 -9.874 1.704 1.00 0.00 O ATOM 0 H SER B 120 11.213 -7.661 2.536 1.00 0.00 H new ATOM 0 HA SER B 120 8.534 -8.448 2.512 1.00 0.00 H new ATOM 0 HB2 SER B 120 9.492 -10.498 1.381 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.908 -8.957 0.658 1.00 0.00 H new ATOM 0 HG SER B 120 11.763 -10.339 0.907 1.00 0.00 H new ATOM 1832 N TYR B 121 10.445 -10.279 4.540 1.00 0.00 N ATOM 1833 CA TYR B 121 10.503 -11.119 5.738 1.00 0.00 C ATOM 1834 C TYR B 121 9.716 -10.522 6.918 1.00 0.00 C ATOM 1835 O TYR B 121 8.811 -11.180 7.430 1.00 0.00 O ATOM 1836 CB TYR B 121 11.967 -11.384 6.122 1.00 0.00 C ATOM 1837 CG TYR B 121 12.118 -12.313 7.314 1.00 0.00 C ATOM 1838 CD1 TYR B 121 12.122 -11.792 8.625 1.00 0.00 C ATOM 1839 CD2 TYR B 121 12.213 -13.704 7.114 1.00 0.00 C ATOM 1840 CE1 TYR B 121 12.202 -12.657 9.734 1.00 0.00 C ATOM 1841 CE2 TYR B 121 12.311 -14.572 8.219 1.00 0.00 C ATOM 1842 CZ TYR B 121 12.304 -14.052 9.532 1.00 0.00 C ATOM 1843 OH TYR B 121 12.384 -14.901 10.595 1.00 0.00 O ATOM 0 H TYR B 121 11.370 -10.085 4.156 1.00 0.00 H new ATOM 0 HA TYR B 121 10.020 -12.067 5.500 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.487 -11.815 5.267 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.454 -10.435 6.346 1.00 0.00 H new ATOM 0 HD1 TYR B 121 12.063 -10.725 8.779 1.00 0.00 H new ATOM 0 HD2 TYR B 121 12.211 -14.106 6.112 1.00 0.00 H new ATOM 0 HE1 TYR B 121 12.185 -12.255 10.736 1.00 0.00 H new ATOM 0 HE2 TYR B 121 12.392 -15.637 8.062 1.00 0.00 H new ATOM 0 HH TYR B 121 12.447 -15.824 10.272 1.00 0.00 H new ATOM 1853 N ASP B 122 10.033 -9.294 7.357 1.00 0.00 N ATOM 1854 CA ASP B 122 9.346 -8.629 8.477 1.00 0.00 C ATOM 1855 C ASP B 122 7.823 -8.602 8.283 1.00 0.00 C ATOM 1856 O ASP B 122 7.075 -9.022 9.170 1.00 0.00 O ATOM 1857 CB ASP B 122 9.869 -7.196 8.694 1.00 0.00 C ATOM 1858 CG ASP B 122 11.204 -7.099 9.456 1.00 0.00 C ATOM 1859 OD1 ASP B 122 11.601 -8.058 10.161 1.00 0.00 O ATOM 1860 OD2 ASP B 122 11.834 -6.015 9.399 1.00 0.00 O ATOM 0 H ASP B 122 10.776 -8.731 6.944 1.00 0.00 H new ATOM 0 HA ASP B 122 9.567 -9.220 9.366 1.00 0.00 H new ATOM 0 HB2 ASP B 122 9.987 -6.717 7.722 1.00 0.00 H new ATOM 0 HB3 ASP B 122 9.115 -6.629 9.239 1.00 0.00 H new ATOM 1865 N CYS B 123 7.362 -8.124 7.127 1.00 0.00 N ATOM 1866 CA CYS B 123 5.946 -8.053 6.776 1.00 0.00 C ATOM 1867 C CYS B 123 5.290 -9.448 6.719 1.00 0.00 C ATOM 1868 O CYS B 123 4.231 -9.640 7.313 1.00 0.00 O ATOM 1869 CB CYS B 123 5.788 -7.263 5.475 1.00 0.00 C ATOM 1870 SG CYS B 123 6.207 -5.517 5.736 1.00 0.00 S ATOM 0 H CYS B 123 7.976 -7.768 6.394 1.00 0.00 H new ATOM 0 HA CYS B 123 5.410 -7.522 7.563 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.433 -7.687 4.705 1.00 0.00 H new ATOM 0 HB3 CYS B 123 4.763 -7.347 5.114 1.00 0.00 H new ATOM 0 HG CYS B 123 5.683 -4.799 4.788 1.00 0.00 H new ATOM 1876 N GLU B 124 5.909 -10.431 6.055 1.00 0.00 N ATOM 1877 CA GLU B 124 5.441 -11.830 5.980 1.00 0.00 C ATOM 1878 C GLU B 124 5.235 -12.438 7.376 1.00 0.00 C ATOM 1879 O GLU B 124 4.220 -13.081 7.635 1.00 0.00 O ATOM 1880 CB GLU B 124 6.432 -12.698 5.181 1.00 0.00 C ATOM 1881 CG GLU B 124 6.303 -12.535 3.662 1.00 0.00 C ATOM 1882 CD GLU B 124 7.445 -13.247 2.925 1.00 0.00 C ATOM 1883 OE1 GLU B 124 7.442 -14.500 2.870 1.00 0.00 O ATOM 1884 OE2 GLU B 124 8.361 -12.577 2.393 1.00 0.00 O ATOM 0 H GLU B 124 6.775 -10.276 5.538 1.00 0.00 H new ATOM 0 HA GLU B 124 4.479 -11.816 5.467 1.00 0.00 H new ATOM 0 HB2 GLU B 124 7.449 -12.443 5.480 1.00 0.00 H new ATOM 0 HB3 GLU B 124 6.276 -13.745 5.440 1.00 0.00 H new ATOM 0 HG2 GLU B 124 5.346 -12.939 3.331 1.00 0.00 H new ATOM 0 HG3 GLU B 124 6.307 -11.475 3.406 1.00 0.00 H new ATOM 1891 N VAL B 125 6.201 -12.237 8.275 1.00 0.00 N ATOM 1892 CA VAL B 125 6.206 -12.704 9.669 1.00 0.00 C ATOM 1893 C VAL B 125 5.102 -12.050 10.512 1.00 0.00 C ATOM 1894 O VAL B 125 4.362 -12.741 11.212 1.00 0.00 O ATOM 1895 CB VAL B 125 7.608 -12.456 10.270 1.00 0.00 C ATOM 1896 CG1 VAL B 125 7.675 -12.471 11.802 1.00 0.00 C ATOM 1897 CG2 VAL B 125 8.577 -13.518 9.740 1.00 0.00 C ATOM 0 H VAL B 125 7.047 -11.717 8.041 1.00 0.00 H new ATOM 0 HA VAL B 125 5.988 -13.772 9.681 1.00 0.00 H new ATOM 0 HB VAL B 125 7.878 -11.446 9.961 1.00 0.00 H new ATOM 0 HG11 VAL B 125 8.700 -12.288 12.123 1.00 0.00 H new ATOM 0 HG12 VAL B 125 7.025 -11.693 12.202 1.00 0.00 H new ATOM 0 HG13 VAL B 125 7.348 -13.443 12.171 1.00 0.00 H new ATOM 0 HG21 VAL B 125 9.568 -13.348 10.160 1.00 0.00 H new ATOM 0 HG22 VAL B 125 8.225 -14.508 10.029 1.00 0.00 H new ATOM 0 HG23 VAL B 125 8.628 -13.454 8.653 1.00 0.00 H new ATOM 1907 N ASN B 126 5.015 -10.718 10.490 1.00 0.00 N ATOM 1908 CA ASN B 126 4.090 -9.926 11.309 1.00 0.00 C ATOM 1909 C ASN B 126 2.638 -9.881 10.795 1.00 0.00 C ATOM 1910 O ASN B 126 1.715 -9.813 11.608 1.00 0.00 O ATOM 1911 CB ASN B 126 4.678 -8.520 11.481 1.00 0.00 C ATOM 1912 CG ASN B 126 5.844 -8.512 12.451 1.00 0.00 C ATOM 1913 OD1 ASN B 126 5.678 -8.302 13.640 1.00 0.00 O ATOM 1914 ND2 ASN B 126 7.047 -8.785 12.008 1.00 0.00 N ATOM 0 H ASN B 126 5.602 -10.143 9.886 1.00 0.00 H new ATOM 0 HA ASN B 126 4.002 -10.428 12.272 1.00 0.00 H new ATOM 0 HB2 ASN B 126 5.008 -8.143 10.513 1.00 0.00 H new ATOM 0 HB3 ASN B 126 3.902 -7.843 11.839 1.00 0.00 H new ATOM 0 HD21 ASN B 126 7.833 -8.820 12.657 1.00 0.00 H new ATOM 0 HD22 ASN B 126 7.197 -8.962 11.015 1.00 0.00 H new ATOM 1921 N ALA B 127 2.421 -9.904 9.477 1.00 0.00 N ATOM 1922 CA ALA B 127 1.106 -9.875 8.831 1.00 0.00 C ATOM 1923 C ALA B 127 1.036 -10.846 7.621 1.00 0.00 C ATOM 1924 O ALA B 127 0.993 -10.395 6.466 1.00 0.00 O ATOM 1925 CB ALA B 127 0.790 -8.415 8.462 1.00 0.00 C ATOM 0 H ALA B 127 3.187 -9.945 8.804 1.00 0.00 H new ATOM 0 HA ALA B 127 0.339 -10.235 9.516 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.186 -8.365 7.978 1.00 0.00 H new ATOM 0 HB2 ALA B 127 0.779 -7.806 9.366 1.00 0.00 H new ATOM 0 HB3 ALA B 127 1.553 -8.039 7.780 1.00 0.00 H new ATOM 1931 N PRO B 128 1.003 -12.177 7.860 1.00 0.00 N ATOM 1932 CA PRO B 128 0.935 -13.196 6.808 1.00 0.00 C ATOM 1933 C PRO B 128 -0.240 -13.007 5.839 1.00 0.00 C ATOM 1934 O PRO B 128 -1.372 -12.747 6.255 1.00 0.00 O ATOM 1935 CB PRO B 128 0.814 -14.548 7.526 1.00 0.00 C ATOM 1936 CG PRO B 128 1.352 -14.289 8.928 1.00 0.00 C ATOM 1937 CD PRO B 128 1.031 -12.816 9.172 1.00 0.00 C ATOM 0 HA PRO B 128 1.829 -13.126 6.188 1.00 0.00 H new ATOM 0 HB2 PRO B 128 -0.221 -14.890 7.555 1.00 0.00 H new ATOM 0 HB3 PRO B 128 1.391 -15.320 7.017 1.00 0.00 H new ATOM 0 HG2 PRO B 128 0.872 -14.931 9.666 1.00 0.00 H new ATOM 0 HG3 PRO B 128 2.423 -14.481 8.988 1.00 0.00 H new ATOM 0 HD2 PRO B 128 0.072 -12.706 9.678 1.00 0.00 H new ATOM 0 HD3 PRO B 128 1.783 -12.355 9.812 1.00 0.00 H new ATOM 1945 N ILE B 129 0.025 -13.167 4.541 1.00 0.00 N ATOM 1946 CA ILE B 129 -0.974 -13.082 3.463 1.00 0.00 C ATOM 1947 C ILE B 129 -1.967 -14.248 3.602 1.00 0.00 C ATOM 1948 O ILE B 129 -1.555 -15.406 3.732 1.00 0.00 O ATOM 1949 CB ILE B 129 -0.269 -13.119 2.087 1.00 0.00 C ATOM 1950 CG1 ILE B 129 0.671 -11.908 1.902 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -1.279 -13.124 0.928 1.00 0.00 C ATOM 1952 CD1 ILE B 129 1.852 -12.206 0.976 1.00 0.00 C ATOM 0 H ILE B 129 0.965 -13.365 4.197 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.521 -12.142 3.538 1.00 0.00 H new ATOM 0 HB ILE B 129 0.309 -14.043 2.069 1.00 0.00 H new ATOM 0 HG12 ILE B 129 0.101 -11.071 1.498 1.00 0.00 H new ATOM 0 HG13 ILE B 129 1.049 -11.596 2.876 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -0.744 -13.150 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -1.920 -14.002 1.008 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -1.891 -12.223 0.975 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.476 -11.317 0.885 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.442 -13.023 1.390 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.480 -12.490 -0.008 1.00 0.00 H new ATOM 1964 N GLN B 130 -3.271 -13.953 3.575 1.00 0.00 N ATOM 1965 CA GLN B 130 -4.339 -14.955 3.680 1.00 0.00 C ATOM 1966 C GLN B 130 -4.220 -16.019 2.570 1.00 0.00 C ATOM 1967 O GLN B 130 -4.057 -15.696 1.391 1.00 0.00 O ATOM 1968 CB GLN B 130 -5.700 -14.238 3.658 1.00 0.00 C ATOM 1969 CG GLN B 130 -6.919 -15.168 3.794 1.00 0.00 C ATOM 1970 CD GLN B 130 -6.888 -16.028 5.060 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -6.781 -15.546 6.180 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -6.975 -17.337 4.939 1.00 0.00 N ATOM 0 H GLN B 130 -3.620 -12.999 3.478 1.00 0.00 H new ATOM 0 HA GLN B 130 -4.245 -15.492 4.624 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -5.724 -13.509 4.468 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -5.787 -13.681 2.725 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -7.828 -14.566 3.794 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -6.969 -15.820 2.922 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -7.065 -17.759 4.015 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -6.953 -17.929 5.770 1.00 0.00 H new ATOM 2037 N LEU B 135 4.115 -12.515 -3.562 1.00 0.00 N ATOM 2038 CA LEU B 135 4.464 -11.115 -3.800 1.00 0.00 C ATOM 2039 C LEU B 135 3.734 -10.620 -5.054 1.00 0.00 C ATOM 2040 O LEU B 135 4.118 -10.930 -6.184 1.00 0.00 O ATOM 2041 CB LEU B 135 5.986 -10.902 -3.925 1.00 0.00 C ATOM 2042 CG LEU B 135 6.824 -11.082 -2.645 1.00 0.00 C ATOM 2043 CD1 LEU B 135 8.274 -10.733 -2.986 1.00 0.00 C ATOM 2044 CD2 LEU B 135 6.414 -10.169 -1.485 1.00 0.00 C ATOM 0 HA LEU B 135 4.144 -10.532 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU B 135 6.364 -11.594 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU B 135 6.157 -9.894 -4.303 1.00 0.00 H new ATOM 0 HG LEU B 135 6.675 -12.112 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU B 135 8.895 -10.851 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU B 135 8.633 -11.398 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU B 135 8.328 -9.701 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU B 135 7.056 -10.362 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU B 135 6.518 -9.127 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU B 135 5.377 -10.367 -1.215 1.00 0.00 H new ATOM 2056 N LEU B 136 2.680 -9.839 -4.834 1.00 0.00 N ATOM 2057 CA LEU B 136 1.874 -9.149 -5.847 1.00 0.00 C ATOM 2058 C LEU B 136 2.815 -8.213 -6.648 1.00 0.00 C ATOM 2059 O LEU B 136 3.576 -7.452 -6.047 1.00 0.00 O ATOM 2060 CB LEU B 136 0.756 -8.411 -5.076 1.00 0.00 C ATOM 2061 CG LEU B 136 -0.494 -7.953 -5.838 1.00 0.00 C ATOM 2062 CD1 LEU B 136 -0.179 -7.142 -7.080 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -1.404 -9.105 -6.257 1.00 0.00 C ATOM 0 H LEU B 136 2.342 -9.658 -3.889 1.00 0.00 H new ATOM 0 HA LEU B 136 1.405 -9.810 -6.575 1.00 0.00 H new ATOM 0 HB2 LEU B 136 0.428 -9.064 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU B 136 1.201 -7.530 -4.614 1.00 0.00 H new ATOM 0 HG LEU B 136 -1.012 -7.324 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -1.108 -6.851 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU B 136 0.379 -6.248 -6.799 1.00 0.00 H new ATOM 0 HD13 LEU B 136 0.419 -7.743 -7.765 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -2.268 -8.710 -6.791 1.00 0.00 H new ATOM 0 HD22 LEU B 136 -0.854 -9.784 -6.908 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -1.740 -9.644 -5.371 1.00 0.00 H new ATOM 2075 N GLN B 137 2.825 -8.302 -7.985 1.00 0.00 N ATOM 2076 CA GLN B 137 3.760 -7.576 -8.870 1.00 0.00 C ATOM 2077 C GLN B 137 3.108 -6.930 -10.109 1.00 0.00 C ATOM 2078 O GLN B 137 2.030 -7.326 -10.555 1.00 0.00 O ATOM 2079 CB GLN B 137 4.846 -8.567 -9.336 1.00 0.00 C ATOM 2080 CG GLN B 137 5.889 -8.885 -8.255 1.00 0.00 C ATOM 2081 CD GLN B 137 6.671 -10.152 -8.589 1.00 0.00 C ATOM 2082 OE1 GLN B 137 7.644 -10.142 -9.331 1.00 0.00 O ATOM 2083 NE2 GLN B 137 6.270 -11.286 -8.057 1.00 0.00 N ATOM 0 H GLN B 137 2.170 -8.893 -8.498 1.00 0.00 H new ATOM 0 HA GLN B 137 4.166 -6.751 -8.285 1.00 0.00 H new ATOM 0 HB2 GLN B 137 4.369 -9.494 -9.653 1.00 0.00 H new ATOM 0 HB3 GLN B 137 5.353 -8.155 -10.209 1.00 0.00 H new ATOM 0 HG2 GLN B 137 6.578 -8.046 -8.155 1.00 0.00 H new ATOM 0 HG3 GLN B 137 5.392 -9.006 -7.292 1.00 0.00 H new ATOM 0 HE21 GLN B 137 5.460 -11.300 -7.438 1.00 0.00 H new ATOM 0 HE22 GLN B 137 6.769 -12.151 -8.264 1.00 0.00 H new ATOM 2092 N GLY B 138 3.814 -5.953 -10.689 1.00 0.00 N ATOM 2093 CA GLY B 138 3.468 -5.217 -11.913 1.00 0.00 C ATOM 2094 C GLY B 138 2.121 -4.496 -11.898 1.00 0.00 C ATOM 2095 O GLY B 138 1.742 -3.924 -10.880 1.00 0.00 O ATOM 0 H GLY B 138 4.698 -5.634 -10.292 1.00 0.00 H new ATOM 0 HA2 GLY B 138 4.250 -4.482 -12.106 1.00 0.00 H new ATOM 0 HA3 GLY B 138 3.475 -5.916 -12.749 1.00 0.00 H new ATOM 2099 N GLU B 139 1.408 -4.462 -13.028 1.00 0.00 N ATOM 2100 CA GLU B 139 0.134 -3.726 -13.163 1.00 0.00 C ATOM 2101 C GLU B 139 -0.928 -4.125 -12.122 1.00 0.00 C ATOM 2102 O GLU B 139 -1.705 -3.276 -11.686 1.00 0.00 O ATOM 2103 CB GLU B 139 -0.397 -3.807 -14.604 1.00 0.00 C ATOM 2104 CG GLU B 139 -1.368 -2.653 -14.904 1.00 0.00 C ATOM 2105 CD GLU B 139 -1.820 -2.640 -16.375 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -1.003 -2.316 -17.270 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -3.009 -2.941 -16.643 1.00 0.00 O ATOM 0 H GLU B 139 1.694 -4.943 -13.881 1.00 0.00 H new ATOM 0 HA GLU B 139 0.357 -2.682 -12.944 1.00 0.00 H new ATOM 0 HB2 GLU B 139 0.438 -3.775 -15.304 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -0.903 -4.760 -14.755 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -2.242 -2.739 -14.258 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -0.887 -1.704 -14.665 1.00 0.00 H new ATOM 2114 N GLU B 140 -0.932 -5.385 -11.664 1.00 0.00 N ATOM 2115 CA GLU B 140 -1.811 -5.853 -10.581 1.00 0.00 C ATOM 2116 C GLU B 140 -1.661 -5.000 -9.312 1.00 0.00 C ATOM 2117 O GLU B 140 -2.656 -4.793 -8.617 1.00 0.00 O ATOM 2118 CB GLU B 140 -1.580 -7.335 -10.257 1.00 0.00 C ATOM 2119 CG GLU B 140 -2.198 -8.294 -11.278 1.00 0.00 C ATOM 2120 CD GLU B 140 -3.737 -8.241 -11.247 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -4.332 -8.570 -10.192 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -4.357 -7.866 -12.271 1.00 0.00 O ATOM 0 H GLU B 140 -0.322 -6.113 -12.036 1.00 0.00 H new ATOM 0 HA GLU B 140 -2.832 -5.741 -10.945 1.00 0.00 H new ATOM 0 HB2 GLU B 140 -0.508 -7.522 -10.200 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -1.994 -7.551 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -1.845 -8.039 -12.277 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -1.864 -9.311 -11.071 1.00 0.00 H new ATOM 2129 N LEU B 141 -0.460 -4.470 -9.025 1.00 0.00 N ATOM 2130 CA LEU B 141 -0.216 -3.551 -7.908 1.00 0.00 C ATOM 2131 C LEU B 141 -1.145 -2.351 -8.063 1.00 0.00 C ATOM 2132 O LEU B 141 -2.011 -2.117 -7.226 1.00 0.00 O ATOM 2133 CB LEU B 141 1.243 -3.046 -7.883 1.00 0.00 C ATOM 2134 CG LEU B 141 2.312 -4.087 -7.524 1.00 0.00 C ATOM 2135 CD1 LEU B 141 3.684 -3.580 -7.962 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.355 -4.287 -6.014 1.00 0.00 C ATOM 0 H LEU B 141 0.377 -4.672 -9.571 1.00 0.00 H new ATOM 0 HA LEU B 141 -0.402 -4.087 -6.977 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.481 -2.635 -8.864 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.310 -2.225 -7.169 1.00 0.00 H new ATOM 0 HG LEU B 141 2.067 -5.024 -8.025 1.00 0.00 H new ATOM 0 HD11 LEU B 141 4.443 -4.319 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU B 141 3.684 -3.416 -9.040 1.00 0.00 H new ATOM 0 HD13 LEU B 141 3.905 -2.642 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.116 -5.027 -5.767 1.00 0.00 H new ATOM 0 HD22 LEU B 141 2.597 -3.342 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU B 141 1.383 -4.636 -5.665 1.00 0.00 H new ATOM 2148 N LEU B 142 -0.973 -1.604 -9.157 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.744 -0.406 -9.471 1.00 0.00 C ATOM 2150 C LEU B 142 -3.251 -0.688 -9.447 1.00 0.00 C ATOM 2151 O LEU B 142 -3.982 0.052 -8.799 1.00 0.00 O ATOM 2152 CB LEU B 142 -1.281 0.230 -10.792 1.00 0.00 C ATOM 2153 CG LEU B 142 0.241 0.434 -10.958 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.483 1.469 -12.056 1.00 0.00 C ATOM 2155 CD2 LEU B 142 0.958 0.932 -9.701 1.00 0.00 C ATOM 0 H LEU B 142 -0.274 -1.825 -9.866 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.553 0.330 -8.690 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -1.634 -0.393 -11.614 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -1.769 1.199 -10.894 1.00 0.00 H new ATOM 0 HG LEU B 142 0.646 -0.550 -11.196 1.00 0.00 H new ATOM 0 HD11 LEU B 142 1.555 1.622 -12.182 1.00 0.00 H new ATOM 0 HD12 LEU B 142 0.054 1.113 -12.993 1.00 0.00 H new ATOM 0 HD13 LEU B 142 0.013 2.412 -11.777 1.00 0.00 H new ATOM 0 HD21 LEU B 142 2.022 1.047 -9.910 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.541 1.894 -9.401 1.00 0.00 H new ATOM 0 HD23 LEU B 142 0.822 0.211 -8.895 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.713 -1.771 -10.090 1.00 0.00 N ATOM 2168 CA ARG B 143 -5.121 -2.226 -10.077 1.00 0.00 C ATOM 2169 C ARG B 143 -5.638 -2.393 -8.641 1.00 0.00 C ATOM 2170 O ARG B 143 -6.698 -1.859 -8.308 1.00 0.00 O ATOM 2171 CB ARG B 143 -5.267 -3.533 -10.876 1.00 0.00 C ATOM 2172 CG ARG B 143 -5.003 -3.370 -12.384 1.00 0.00 C ATOM 2173 CD ARG B 143 -4.887 -4.752 -13.038 1.00 0.00 C ATOM 2174 NE ARG B 143 -4.506 -4.682 -14.459 1.00 0.00 N ATOM 2175 CZ ARG B 143 -4.349 -5.708 -15.276 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -4.488 -6.945 -14.895 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -4.030 -5.499 -16.519 1.00 0.00 N ATOM 0 H ARG B 143 -3.107 -2.373 -10.648 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.732 -1.461 -10.556 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -4.576 -4.274 -10.473 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -6.274 -3.925 -10.733 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -5.812 -2.805 -12.846 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -4.086 -2.803 -12.544 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -4.148 -5.344 -12.497 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -5.840 -5.273 -12.948 1.00 0.00 H new ATOM 0 HE ARG B 143 -4.348 -3.753 -14.849 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -4.729 -7.156 -13.927 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -4.356 -7.703 -15.565 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -3.902 -4.546 -16.859 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -3.908 -6.288 -17.154 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.888 -3.096 -7.788 1.00 0.00 N ATOM 2192 CA ALA B 144 -5.201 -3.288 -6.372 1.00 0.00 C ATOM 2193 C ALA B 144 -5.274 -1.939 -5.619 1.00 0.00 C ATOM 2194 O ALA B 144 -6.230 -1.717 -4.876 1.00 0.00 O ATOM 2195 CB ALA B 144 -4.200 -4.271 -5.744 1.00 0.00 C ATOM 0 H ALA B 144 -4.024 -3.559 -8.072 1.00 0.00 H new ATOM 0 HA ALA B 144 -6.194 -3.730 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -4.439 -4.409 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -4.260 -5.230 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -3.190 -3.872 -5.838 1.00 0.00 H new ATOM 2201 N LEU B 145 -4.307 -1.029 -5.810 1.00 0.00 N ATOM 2202 CA LEU B 145 -4.291 0.310 -5.195 1.00 0.00 C ATOM 2203 C LEU B 145 -5.448 1.214 -5.674 1.00 0.00 C ATOM 2204 O LEU B 145 -5.968 2.024 -4.913 1.00 0.00 O ATOM 2205 CB LEU B 145 -2.971 1.054 -5.488 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.646 0.398 -5.073 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.479 1.299 -5.431 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.530 0.110 -3.586 1.00 0.00 C ATOM 0 H LEU B 145 -3.499 -1.205 -6.407 1.00 0.00 H new ATOM 0 HA LEU B 145 -4.402 0.125 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -2.927 1.238 -6.561 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -3.025 2.027 -5.000 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.626 -0.549 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.454 0.822 -5.131 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.469 1.471 -6.507 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.582 2.252 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.565 -0.353 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.613 1.042 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -2.329 -0.567 -3.283 1.00 0.00 H new ATOM 2220 N ASP B 146 -5.812 1.152 -6.957 1.00 0.00 N ATOM 2221 CA ASP B 146 -6.823 2.006 -7.591 1.00 0.00 C ATOM 2222 C ASP B 146 -8.238 1.866 -7.002 1.00 0.00 C ATOM 2223 O ASP B 146 -8.984 2.845 -6.971 1.00 0.00 O ATOM 2224 CB ASP B 146 -6.836 1.764 -9.110 1.00 0.00 C ATOM 2225 CG ASP B 146 -7.278 3.011 -9.881 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -6.402 3.882 -10.113 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -8.459 3.111 -10.287 1.00 0.00 O ATOM 0 H ASP B 146 -5.398 0.483 -7.606 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.527 3.033 -7.377 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -5.840 1.467 -9.439 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -7.508 0.937 -9.341 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.618 0.674 -6.529 1.00 0.00 N ATOM 2233 CA GLN B 147 -9.943 0.384 -5.956 1.00 0.00 C ATOM 2234 C GLN B 147 -10.320 1.212 -4.710 1.00 0.00 C ATOM 2235 O GLN B 147 -11.505 1.312 -4.382 1.00 0.00 O ATOM 2236 CB GLN B 147 -10.082 -1.132 -5.715 1.00 0.00 C ATOM 2237 CG GLN B 147 -9.558 -1.599 -4.347 1.00 0.00 C ATOM 2238 CD GLN B 147 -9.453 -3.120 -4.260 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -10.441 -3.842 -4.194 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -8.256 -3.665 -4.259 1.00 0.00 N ATOM 0 H GLN B 147 -8.000 -0.137 -6.533 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.673 0.707 -6.698 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -11.133 -1.409 -5.804 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -9.545 -1.665 -6.499 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -8.578 -1.158 -4.165 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -10.222 -1.237 -3.562 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -7.426 -3.074 -4.314 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -8.157 -4.679 -4.204 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.342 1.796 -4.006 1.00 0.00 N ATOM 2250 CA VAL B 148 -9.550 2.604 -2.789 1.00 0.00 C ATOM 2251 C VAL B 148 -10.457 3.804 -3.085 1.00 0.00 C ATOM 2252 O VAL B 148 -10.111 4.670 -3.891 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.220 3.117 -2.201 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -8.438 3.766 -0.827 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.182 2.016 -1.988 1.00 0.00 C ATOM 0 H VAL B 148 -8.360 1.720 -4.270 1.00 0.00 H new ATOM 0 HA VAL B 148 -10.024 1.951 -2.057 1.00 0.00 H new ATOM 0 HB VAL B 148 -7.852 3.830 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -7.484 4.119 -0.436 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.123 4.608 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -8.862 3.033 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -6.272 2.449 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -7.578 1.271 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -6.954 1.541 -2.942 1.00 0.00 H new ATOM 2265 N ASN B 149 -11.619 3.862 -2.437 1.00 0.00 N ATOM 2266 CA ASN B 149 -12.604 4.944 -2.578 1.00 0.00 C ATOM 2267 C ASN B 149 -13.348 5.261 -1.262 1.00 0.00 C ATOM 2268 O ASN B 149 -13.478 4.361 -0.400 1.00 0.00 O ATOM 2269 CB ASN B 149 -13.581 4.587 -3.724 1.00 0.00 C ATOM 2270 CG ASN B 149 -14.546 3.451 -3.400 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -15.699 3.662 -3.043 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -14.127 2.213 -3.538 1.00 0.00 N ATOM 2273 OXT ASN B 149 -13.788 6.422 -1.101 1.00 0.00 O ATOM 0 H ASN B 149 -11.914 3.140 -1.780 1.00 0.00 H new ATOM 0 HA ASN B 149 -12.071 5.861 -2.828 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -14.158 5.475 -3.982 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -13.002 4.315 -4.607 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -14.760 1.436 -3.348 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -13.169 2.029 -3.835 1.00 0.00 H new