USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 938 hydrogens (27 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 65 CYS SG : rot 180:sc= 0.0428 USER MOD Set 1.2: A 117 THR OG1 : rot 98:sc= 0.0541 USER MOD Set 2.1: A 56 THR OG1 : rot -165:sc= -0.633 USER MOD Set 2.2: A 59 GLN : amide:sc= -0.68 K(o=-1.3,f=-4.4) USER MOD Single : A 3 ASN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.415 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0686 X(o=-0.069,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -0.0233 (180deg=-0.277) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= -0.0257 (180deg=-0.246) USER MOD Single : A 34 ASN : amide:sc= -0.0597 X(o=-0.06,f=-0.34) USER MOD Single : A 41 MET CE :methyl 154:sc= -0.0524 (180deg=-0.922) USER MOD Single : A 43 ASN : amide:sc= -4.79 K(o=-4.8,f=-7.3!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -75:sc= 0.906 USER MOD Single : A 68 GLN : amide:sc= -0.205 K(o=-0.21,f=-1.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 140:sc= -0.393 USER MOD Single : A 78 LYS NZ :NH3+ 168:sc=-0.00388 (180deg=-0.112) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 76:sc= 1.06 USER MOD Single : A 88 LYS NZ :NH3+ 148:sc= -0.656 (180deg=-3.12!) USER MOD Single : A 97 ASN : amide:sc= -0.623 K(o=-0.62,f=-3.4!) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 113:sc= -1.44 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -140:sc= 0.144 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 15:sc= -0.901 USER MOD Single : A 111 SER OG : rot 76:sc= 0.744 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 169:sc= -0.0526 (180deg=-0.208) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 3.220 14.979 0.150 1.00 23.14 N ATOM 2 CA GLY A 2 2.848 16.358 0.400 1.00 52.45 C ATOM 3 C GLY A 2 3.429 16.891 1.695 1.00 71.44 C ATOM 4 O GLY A 2 2.694 17.218 2.625 1.00 3.34 O ATOM 0 HA2 GLY A 2 3.188 16.979 -0.429 1.00 52.45 H new ATOM 0 HA3 GLY A 2 1.761 16.437 0.433 1.00 52.45 H new ATOM 8 N ASN A 3 4.754 16.976 1.757 1.00 1.24 N ATOM 9 CA ASN A 3 5.434 17.469 2.948 1.00 60.54 C ATOM 10 C ASN A 3 4.999 16.690 4.185 1.00 2.03 C ATOM 11 O ASN A 3 4.691 17.273 5.223 1.00 61.44 O ATOM 12 CB ASN A 3 5.147 18.959 3.144 1.00 74.31 C ATOM 13 CG ASN A 3 5.692 19.807 2.011 1.00 15.52 C ATOM 14 OD1 ASN A 3 4.945 20.521 1.340 1.00 73.52 O ATOM 15 ND2 ASN A 3 7.000 19.731 1.791 1.00 44.34 N ATOM 0 H ASN A 3 5.378 16.709 0.995 1.00 1.24 H new ATOM 0 HA ASN A 3 6.506 17.327 2.809 1.00 60.54 H new ATOM 0 HB2 ASN A 3 4.071 19.112 3.223 1.00 74.31 H new ATOM 0 HB3 ASN A 3 5.586 19.290 4.085 1.00 74.31 H new ATOM 0 HD21 ASN A 3 7.424 20.278 1.041 1.00 44.34 H new ATOM 0 HD22 ASN A 3 7.581 19.126 2.372 1.00 44.34 H new ATOM 22 N GLY A 4 4.976 15.365 4.066 1.00 14.24 N ATOM 23 CA GLY A 4 4.578 14.526 5.181 1.00 12.41 C ATOM 24 C GLY A 4 3.147 14.778 5.613 1.00 22.34 C ATOM 25 O GLY A 4 2.898 15.208 6.738 1.00 72.24 O ATOM 0 H GLY A 4 5.226 14.858 3.217 1.00 14.24 H new ATOM 0 HA2 GLY A 4 4.691 13.478 4.902 1.00 12.41 H new ATOM 0 HA3 GLY A 4 5.246 14.706 6.024 1.00 12.41 H new ATOM 29 N GLN A 5 2.204 14.507 4.715 1.00 70.05 N ATOM 30 CA GLN A 5 0.790 14.708 5.010 1.00 50.42 C ATOM 31 C GLN A 5 -0.086 13.940 4.027 1.00 32.11 C ATOM 32 O GLN A 5 0.098 14.031 2.813 1.00 22.21 O ATOM 33 CB GLN A 5 0.444 16.198 4.962 1.00 75.22 C ATOM 34 CG GLN A 5 -1.027 16.489 5.210 1.00 51.25 C ATOM 35 CD GLN A 5 -1.769 16.867 3.944 1.00 21.42 C ATOM 36 OE1 GLN A 5 -2.295 16.004 3.240 1.00 43.50 O ATOM 37 NE2 GLN A 5 -1.815 18.160 3.646 1.00 3.14 N ATOM 0 H GLN A 5 2.394 14.148 3.779 1.00 70.05 H new ATOM 0 HA GLN A 5 0.597 14.329 6.014 1.00 50.42 H new ATOM 0 HB2 GLN A 5 1.041 16.725 5.706 1.00 75.22 H new ATOM 0 HB3 GLN A 5 0.725 16.597 3.987 1.00 75.22 H new ATOM 0 HG2 GLN A 5 -1.497 15.611 5.654 1.00 51.25 H new ATOM 0 HG3 GLN A 5 -1.116 17.299 5.934 1.00 51.25 H new ATOM 0 HE21 GLN A 5 -1.365 18.841 4.258 1.00 3.14 H new ATOM 0 HE22 GLN A 5 -2.300 18.473 2.805 1.00 3.14 H new ATOM 46 N GLY A 6 -1.040 13.181 4.559 1.00 12.50 N ATOM 47 CA GLY A 6 -1.929 12.407 3.713 1.00 41.32 C ATOM 48 C GLY A 6 -3.110 11.842 4.478 1.00 10.11 C ATOM 49 O GLY A 6 -2.940 11.239 5.537 1.00 50.42 O ATOM 0 H GLY A 6 -1.213 13.089 5.560 1.00 12.50 H new ATOM 0 HA2 GLY A 6 -2.293 13.037 2.901 1.00 41.32 H new ATOM 0 HA3 GLY A 6 -1.371 11.590 3.256 1.00 41.32 H new ATOM 53 N ARG A 7 -4.310 12.039 3.941 1.00 33.23 N ATOM 54 CA ARG A 7 -5.523 11.547 4.581 1.00 43.14 C ATOM 55 C ARG A 7 -5.618 10.028 4.473 1.00 1.34 C ATOM 56 O ARG A 7 -5.632 9.323 5.482 1.00 12.00 O ATOM 57 CB ARG A 7 -6.758 12.192 3.948 1.00 14.31 C ATOM 58 CG ARG A 7 -7.335 13.335 4.767 1.00 55.21 C ATOM 59 CD ARG A 7 -6.569 14.628 4.536 1.00 14.33 C ATOM 60 NE ARG A 7 -7.087 15.724 5.350 1.00 54.14 N ATOM 61 CZ ARG A 7 -6.406 16.836 5.604 1.00 12.40 C ATOM 62 NH1 ARG A 7 -5.187 17.000 5.107 1.00 60.42 N ATOM 63 NH2 ARG A 7 -6.945 17.789 6.354 1.00 73.51 N ATOM 0 H ARG A 7 -4.467 12.536 3.064 1.00 33.23 H new ATOM 0 HA ARG A 7 -5.481 11.817 5.636 1.00 43.14 H new ATOM 0 HB2 ARG A 7 -6.496 12.562 2.957 1.00 14.31 H new ATOM 0 HB3 ARG A 7 -7.526 11.430 3.811 1.00 14.31 H new ATOM 0 HG2 ARG A 7 -8.383 13.480 4.504 1.00 55.21 H new ATOM 0 HG3 ARG A 7 -7.305 13.077 5.826 1.00 55.21 H new ATOM 0 HD2 ARG A 7 -5.515 14.471 4.767 1.00 14.33 H new ATOM 0 HD3 ARG A 7 -6.627 14.900 3.482 1.00 14.33 H new ATOM 0 HE ARG A 7 -8.023 15.631 5.745 1.00 54.14 H new ATOM 0 HH11 ARG A 7 -4.770 16.271 4.528 1.00 60.42 H new ATOM 0 HH12 ARG A 7 -4.667 17.855 5.304 1.00 60.42 H new ATOM 0 HH21 ARG A 7 -7.883 17.668 6.736 1.00 73.51 H new ATOM 0 HH22 ARG A 7 -6.421 18.642 6.548 1.00 73.51 H new ATOM 77 N ASP A 8 -5.684 9.531 3.242 1.00 43.02 N ATOM 78 CA ASP A 8 -5.778 8.096 3.001 1.00 13.42 C ATOM 79 C ASP A 8 -4.601 7.361 3.635 1.00 44.13 C ATOM 80 O ASP A 8 -4.689 6.170 3.936 1.00 2.13 O ATOM 81 CB ASP A 8 -5.823 7.811 1.499 1.00 22.01 C ATOM 82 CG ASP A 8 -7.241 7.719 0.969 1.00 70.05 C ATOM 83 OD1 ASP A 8 -7.488 8.204 -0.155 1.00 22.31 O ATOM 84 OD2 ASP A 8 -8.103 7.161 1.679 1.00 30.32 O ATOM 0 H ASP A 8 -5.674 10.101 2.396 1.00 43.02 H new ATOM 0 HA ASP A 8 -6.699 7.735 3.459 1.00 13.42 H new ATOM 0 HB2 ASP A 8 -5.290 8.599 0.967 1.00 22.01 H new ATOM 0 HB3 ASP A 8 -5.300 6.877 1.294 1.00 22.01 H new ATOM 89 N TRP A 9 -3.501 8.077 3.834 1.00 73.34 N ATOM 90 CA TRP A 9 -2.306 7.493 4.432 1.00 25.53 C ATOM 91 C TRP A 9 -2.502 7.262 5.927 1.00 72.31 C ATOM 92 O TRP A 9 -2.511 6.122 6.394 1.00 34.20 O ATOM 93 CB TRP A 9 -1.097 8.400 4.198 1.00 23.15 C ATOM 94 CG TRP A 9 0.117 7.984 4.973 1.00 10.20 C ATOM 95 CD1 TRP A 9 0.647 8.612 6.063 1.00 60.33 C ATOM 96 CD2 TRP A 9 0.952 6.851 4.714 1.00 61.20 C ATOM 97 NE1 TRP A 9 1.762 7.937 6.498 1.00 64.41 N ATOM 98 CE2 TRP A 9 1.970 6.852 5.688 1.00 4.22 C ATOM 99 CE3 TRP A 9 0.937 5.833 3.756 1.00 73.21 C ATOM 100 CZ2 TRP A 9 2.962 5.876 5.729 1.00 1.21 C ATOM 101 CZ3 TRP A 9 1.924 4.866 3.797 1.00 23.13 C ATOM 102 CH2 TRP A 9 2.923 4.892 4.778 1.00 34.32 C ATOM 0 H TRP A 9 -3.411 9.063 3.590 1.00 73.34 H new ATOM 0 HA TRP A 9 -2.126 6.530 3.955 1.00 25.53 H new ATOM 0 HB2 TRP A 9 -0.856 8.405 3.135 1.00 23.15 H new ATOM 0 HB3 TRP A 9 -1.360 9.422 4.470 1.00 23.15 H new ATOM 0 HD1 TRP A 9 0.249 9.507 6.517 1.00 60.33 H new ATOM 0 HE1 TRP A 9 2.341 8.201 7.295 1.00 64.41 H new ATOM 0 HE3 TRP A 9 0.168 5.803 2.998 1.00 73.21 H new ATOM 0 HZ2 TRP A 9 3.734 5.894 6.484 1.00 1.21 H new ATOM 0 HZ3 TRP A 9 1.925 4.077 3.060 1.00 23.13 H new ATOM 0 HH2 TRP A 9 3.678 4.120 4.784 1.00 34.32 H new ATOM 113 N LYS A 10 -2.659 8.350 6.673 1.00 4.01 N ATOM 114 CA LYS A 10 -2.856 8.266 8.116 1.00 21.11 C ATOM 115 C LYS A 10 -4.138 7.508 8.446 1.00 4.21 C ATOM 116 O LYS A 10 -4.239 6.868 9.493 1.00 43.54 O ATOM 117 CB LYS A 10 -2.909 9.669 8.725 1.00 65.13 C ATOM 118 CG LYS A 10 -1.737 9.978 9.640 1.00 54.24 C ATOM 119 CD LYS A 10 -2.027 9.577 11.075 1.00 65.14 C ATOM 120 CE LYS A 10 -0.838 9.852 11.983 1.00 40.15 C ATOM 121 NZ LYS A 10 -0.901 9.052 13.238 1.00 54.05 N ATOM 0 H LYS A 10 -2.654 9.300 6.303 1.00 4.01 H new ATOM 0 HA LYS A 10 -2.013 7.722 8.543 1.00 21.11 H new ATOM 0 HB2 LYS A 10 -2.935 10.404 7.921 1.00 65.13 H new ATOM 0 HB3 LYS A 10 -3.837 9.778 9.287 1.00 65.13 H new ATOM 0 HG2 LYS A 10 -0.850 9.452 9.287 1.00 54.24 H new ATOM 0 HG3 LYS A 10 -1.513 11.044 9.598 1.00 54.24 H new ATOM 0 HD2 LYS A 10 -2.897 10.124 11.438 1.00 65.14 H new ATOM 0 HD3 LYS A 10 -2.278 8.517 11.114 1.00 65.14 H new ATOM 0 HE2 LYS A 10 0.085 9.622 11.452 1.00 40.15 H new ATOM 0 HE3 LYS A 10 -0.808 10.913 12.230 1.00 40.15 H new ATOM 0 HZ1 LYS A 10 -0.073 9.268 13.829 1.00 54.05 H new ATOM 0 HZ2 LYS A 10 -1.770 9.290 13.758 1.00 54.05 H new ATOM 0 HZ3 LYS A 10 -0.904 8.039 13.004 1.00 54.05 H new ATOM 135 N MET A 11 -5.113 7.582 7.546 1.00 65.12 N ATOM 136 CA MET A 11 -6.387 6.900 7.742 1.00 61.53 C ATOM 137 C MET A 11 -6.233 5.394 7.551 1.00 54.25 C ATOM 138 O MET A 11 -6.724 4.603 8.356 1.00 73.12 O ATOM 139 CB MET A 11 -7.437 7.444 6.771 1.00 73.25 C ATOM 140 CG MET A 11 -7.952 8.825 7.145 1.00 63.35 C ATOM 141 SD MET A 11 -8.933 8.812 8.659 1.00 52.52 S ATOM 142 CE MET A 11 -8.326 10.291 9.467 1.00 45.25 C ATOM 0 H MET A 11 -5.045 8.107 6.674 1.00 65.12 H new ATOM 0 HA MET A 11 -6.717 7.087 8.764 1.00 61.53 H new ATOM 0 HB2 MET A 11 -7.008 7.484 5.770 1.00 73.25 H new ATOM 0 HB3 MET A 11 -8.277 6.750 6.731 1.00 73.25 H new ATOM 0 HG2 MET A 11 -7.107 9.502 7.269 1.00 63.35 H new ATOM 0 HG3 MET A 11 -8.557 9.217 6.328 1.00 63.35 H new ATOM 0 HE1 MET A 11 -8.838 10.421 10.420 1.00 45.25 H new ATOM 0 HE2 MET A 11 -7.254 10.197 9.641 1.00 45.25 H new ATOM 0 HE3 MET A 11 -8.516 11.156 8.832 1.00 45.25 H new ATOM 152 N ALA A 12 -5.549 5.006 6.480 1.00 30.25 N ATOM 153 CA ALA A 12 -5.329 3.595 6.184 1.00 73.25 C ATOM 154 C ALA A 12 -4.610 2.899 7.335 1.00 22.33 C ATOM 155 O ALA A 12 -4.957 1.777 7.706 1.00 41.44 O ATOM 156 CB ALA A 12 -4.534 3.445 4.895 1.00 25.01 C ATOM 0 H ALA A 12 -5.138 5.648 5.803 1.00 30.25 H new ATOM 0 HA ALA A 12 -6.301 3.119 6.056 1.00 73.25 H new ATOM 0 HB1 ALA A 12 -4.377 2.387 4.686 1.00 25.01 H new ATOM 0 HB2 ALA A 12 -5.086 3.900 4.072 1.00 25.01 H new ATOM 0 HB3 ALA A 12 -3.569 3.941 5.003 1.00 25.01 H new ATOM 162 N ILE A 13 -3.610 3.570 7.894 1.00 73.03 N ATOM 163 CA ILE A 13 -2.844 3.014 9.003 1.00 73.11 C ATOM 164 C ILE A 13 -3.714 2.845 10.243 1.00 12.31 C ATOM 165 O ILE A 13 -3.839 1.746 10.783 1.00 4.51 O ATOM 166 CB ILE A 13 -1.637 3.904 9.355 1.00 72.32 C ATOM 167 CG1 ILE A 13 -0.706 4.041 8.147 1.00 4.13 C ATOM 168 CG2 ILE A 13 -0.884 3.330 10.546 1.00 24.41 C ATOM 169 CD1 ILE A 13 -0.063 2.738 7.729 1.00 41.14 C ATOM 0 H ILE A 13 -3.311 4.499 7.598 1.00 73.03 H new ATOM 0 HA ILE A 13 -2.484 2.037 8.679 1.00 73.11 H new ATOM 0 HB ILE A 13 -2.003 4.895 9.624 1.00 72.32 H new ATOM 0 HG12 ILE A 13 -1.271 4.444 7.307 1.00 4.13 H new ATOM 0 HG13 ILE A 13 0.076 4.764 8.381 1.00 4.13 H new ATOM 0 HG21 ILE A 13 -0.034 3.970 10.782 1.00 24.41 H new ATOM 0 HG22 ILE A 13 -1.550 3.279 11.407 1.00 24.41 H new ATOM 0 HG23 ILE A 13 -0.528 2.329 10.303 1.00 24.41 H new ATOM 0 HD11 ILE A 13 0.583 2.911 6.868 1.00 41.14 H new ATOM 0 HD12 ILE A 13 0.530 2.344 8.554 1.00 41.14 H new ATOM 0 HD13 ILE A 13 -0.838 2.019 7.463 1.00 41.14 H new ATOM 181 N LYS A 14 -4.317 3.942 10.690 1.00 41.25 N ATOM 182 CA LYS A 14 -5.180 3.917 11.865 1.00 60.01 C ATOM 183 C LYS A 14 -6.306 2.903 11.691 1.00 60.32 C ATOM 184 O LYS A 14 -6.588 2.114 12.592 1.00 61.53 O ATOM 185 CB LYS A 14 -5.766 5.308 12.123 1.00 33.45 C ATOM 186 CG LYS A 14 -6.818 5.330 13.219 1.00 31.41 C ATOM 187 CD LYS A 14 -6.776 6.630 14.004 1.00 74.15 C ATOM 188 CE LYS A 14 -7.526 7.741 13.286 1.00 2.15 C ATOM 189 NZ LYS A 14 -8.707 8.207 14.064 1.00 30.11 N ATOM 0 H LYS A 14 -4.224 4.860 10.256 1.00 41.25 H new ATOM 0 HA LYS A 14 -4.576 3.620 12.722 1.00 60.01 H new ATOM 0 HB2 LYS A 14 -4.959 5.989 12.392 1.00 33.45 H new ATOM 0 HB3 LYS A 14 -6.207 5.685 11.200 1.00 33.45 H new ATOM 0 HG2 LYS A 14 -7.807 5.201 12.779 1.00 31.41 H new ATOM 0 HG3 LYS A 14 -6.658 4.490 13.895 1.00 31.41 H new ATOM 0 HD2 LYS A 14 -7.212 6.474 14.991 1.00 74.15 H new ATOM 0 HD3 LYS A 14 -5.739 6.930 14.157 1.00 74.15 H new ATOM 0 HE2 LYS A 14 -6.852 8.580 13.112 1.00 2.15 H new ATOM 0 HE3 LYS A 14 -7.852 7.386 12.309 1.00 2.15 H new ATOM 0 HZ1 LYS A 14 -9.191 8.964 13.540 1.00 30.11 H new ATOM 0 HZ2 LYS A 14 -9.363 7.413 14.209 1.00 30.11 H new ATOM 0 HZ3 LYS A 14 -8.394 8.570 14.987 1.00 30.11 H new ATOM 203 N ARG A 15 -6.945 2.930 10.526 1.00 42.50 N ATOM 204 CA ARG A 15 -8.041 2.013 10.235 1.00 50.31 C ATOM 205 C ARG A 15 -7.551 0.568 10.218 1.00 74.33 C ATOM 206 O ARG A 15 -8.109 -0.295 10.896 1.00 10.34 O ATOM 207 CB ARG A 15 -8.681 2.361 8.889 1.00 43.23 C ATOM 208 CG ARG A 15 -9.422 3.689 8.894 1.00 14.14 C ATOM 209 CD ARG A 15 -10.922 3.491 8.741 1.00 54.11 C ATOM 210 NE ARG A 15 -11.678 4.631 9.252 1.00 2.11 N ATOM 211 CZ ARG A 15 -11.697 5.823 8.665 1.00 22.32 C ATOM 212 NH1 ARG A 15 -11.004 6.028 7.554 1.00 53.52 N ATOM 213 NH2 ARG A 15 -12.410 6.811 9.190 1.00 2.40 N ATOM 0 H ARG A 15 -6.723 3.576 9.769 1.00 42.50 H new ATOM 0 HA ARG A 15 -8.787 2.117 11.023 1.00 50.31 H new ATOM 0 HB2 ARG A 15 -7.905 2.390 8.124 1.00 43.23 H new ATOM 0 HB3 ARG A 15 -9.375 1.568 8.610 1.00 43.23 H new ATOM 0 HG2 ARG A 15 -9.217 4.218 9.825 1.00 14.14 H new ATOM 0 HG3 ARG A 15 -9.052 4.316 8.083 1.00 14.14 H new ATOM 0 HD2 ARG A 15 -11.162 3.339 7.689 1.00 54.11 H new ATOM 0 HD3 ARG A 15 -11.225 2.588 9.271 1.00 54.11 H new ATOM 0 HE ARG A 15 -12.221 4.505 10.106 1.00 2.11 H new ATOM 0 HH11 ARG A 15 -10.455 5.270 7.148 1.00 53.52 H new ATOM 0 HH12 ARG A 15 -11.020 6.944 7.105 1.00 53.52 H new ATOM 0 HH21 ARG A 15 -12.944 6.656 10.045 1.00 2.40 H new ATOM 0 HH22 ARG A 15 -12.424 7.726 8.739 1.00 2.40 H new ATOM 227 N CYS A 16 -6.505 0.314 9.439 1.00 23.30 N ATOM 228 CA CYS A 16 -5.940 -1.027 9.333 1.00 63.13 C ATOM 229 C CYS A 16 -5.623 -1.594 10.713 1.00 73.41 C ATOM 230 O CYS A 16 -5.650 -2.808 10.917 1.00 63.45 O ATOM 231 CB CYS A 16 -4.675 -1.003 8.475 1.00 32.22 C ATOM 232 SG CYS A 16 -4.008 -2.641 8.096 1.00 60.30 S ATOM 0 H CYS A 16 -6.032 1.018 8.872 1.00 23.30 H new ATOM 0 HA CYS A 16 -6.680 -1.670 8.858 1.00 63.13 H new ATOM 0 HB2 CYS A 16 -4.893 -0.486 7.540 1.00 32.22 H new ATOM 0 HB3 CYS A 16 -3.910 -0.422 8.990 1.00 32.22 H new ATOM 0 HG CYS A 16 -2.940 -2.516 7.365 1.00 60.30 H new ATOM 238 N SER A 17 -5.321 -0.708 11.656 1.00 74.15 N ATOM 239 CA SER A 17 -4.992 -1.121 13.015 1.00 61.22 C ATOM 240 C SER A 17 -6.102 -1.985 13.604 1.00 42.43 C ATOM 241 O SER A 17 -5.861 -2.811 14.483 1.00 24.13 O ATOM 242 CB SER A 17 -4.759 0.106 13.901 1.00 22.35 C ATOM 243 OG SER A 17 -3.744 -0.142 14.858 1.00 52.14 O ATOM 0 H SER A 17 -5.297 0.300 11.504 1.00 74.15 H new ATOM 0 HA SER A 17 -4.077 -1.712 12.978 1.00 61.22 H new ATOM 0 HB2 SER A 17 -4.479 0.958 13.282 1.00 22.35 H new ATOM 0 HB3 SER A 17 -5.686 0.373 14.410 1.00 22.35 H new ATOM 0 HG SER A 17 -3.613 0.657 15.410 1.00 52.14 H new ATOM 249 N ASN A 18 -7.321 -1.786 13.114 1.00 10.14 N ATOM 250 CA ASN A 18 -8.471 -2.546 13.590 1.00 44.11 C ATOM 251 C ASN A 18 -8.533 -3.916 12.923 1.00 10.21 C ATOM 252 O ASN A 18 -9.056 -4.873 13.493 1.00 71.51 O ATOM 253 CB ASN A 18 -9.765 -1.776 13.321 1.00 11.31 C ATOM 254 CG ASN A 18 -10.086 -0.781 14.420 1.00 1.43 C ATOM 255 OD1 ASN A 18 -10.139 0.426 14.184 1.00 24.22 O ATOM 256 ND2 ASN A 18 -10.303 -1.286 15.629 1.00 74.31 N ATOM 0 H ASN A 18 -7.538 -1.104 12.387 1.00 10.14 H new ATOM 0 HA ASN A 18 -8.359 -2.690 14.665 1.00 44.11 H new ATOM 0 HB2 ASN A 18 -9.680 -1.249 12.371 1.00 11.31 H new ATOM 0 HB3 ASN A 18 -10.590 -2.481 13.221 1.00 11.31 H new ATOM 0 HD21 ASN A 18 -10.524 -0.666 16.408 1.00 74.31 H new ATOM 0 HD22 ASN A 18 -10.248 -2.294 15.778 1.00 74.31 H new ATOM 263 N VAL A 19 -7.995 -4.002 11.710 1.00 31.01 N ATOM 264 CA VAL A 19 -7.987 -5.255 10.965 1.00 73.32 C ATOM 265 C VAL A 19 -7.417 -6.392 11.807 1.00 13.12 C ATOM 266 O VAL A 19 -6.358 -6.254 12.419 1.00 5.31 O ATOM 267 CB VAL A 19 -7.166 -5.130 9.668 1.00 21.54 C ATOM 268 CG1 VAL A 19 -7.132 -6.460 8.928 1.00 51.41 C ATOM 269 CG2 VAL A 19 -7.733 -4.032 8.781 1.00 5.21 C ATOM 0 H VAL A 19 -7.559 -3.219 11.223 1.00 31.01 H new ATOM 0 HA VAL A 19 -9.023 -5.479 10.711 1.00 73.32 H new ATOM 0 HB VAL A 19 -6.143 -4.860 9.931 1.00 21.54 H new ATOM 0 HG11 VAL A 19 -6.548 -6.353 8.014 1.00 51.41 H new ATOM 0 HG12 VAL A 19 -6.676 -7.219 9.564 1.00 51.41 H new ATOM 0 HG13 VAL A 19 -8.148 -6.762 8.675 1.00 51.41 H new ATOM 0 HG21 VAL A 19 -7.140 -3.958 7.869 1.00 5.21 H new ATOM 0 HG22 VAL A 19 -8.766 -4.269 8.524 1.00 5.21 H new ATOM 0 HG23 VAL A 19 -7.700 -3.081 9.313 1.00 5.21 H new ATOM 279 N ALA A 20 -8.127 -7.515 11.832 1.00 73.15 N ATOM 280 CA ALA A 20 -7.691 -8.677 12.597 1.00 31.23 C ATOM 281 C ALA A 20 -6.787 -9.576 11.760 1.00 61.51 C ATOM 282 O ALA A 20 -7.262 -10.465 11.053 1.00 63.10 O ATOM 283 CB ALA A 20 -8.895 -9.457 13.102 1.00 20.55 C ATOM 0 H ALA A 20 -9.006 -7.645 11.332 1.00 73.15 H new ATOM 0 HA ALA A 20 -7.116 -8.324 13.453 1.00 31.23 H new ATOM 0 HB1 ALA A 20 -8.555 -10.322 13.672 1.00 20.55 H new ATOM 0 HB2 ALA A 20 -9.501 -8.816 13.742 1.00 20.55 H new ATOM 0 HB3 ALA A 20 -9.493 -9.793 12.254 1.00 20.55 H new ATOM 289 N VAL A 21 -5.482 -9.341 11.846 1.00 52.41 N ATOM 290 CA VAL A 21 -4.512 -10.130 11.097 1.00 54.20 C ATOM 291 C VAL A 21 -4.648 -11.615 11.414 1.00 64.03 C ATOM 292 O VAL A 21 -4.284 -12.469 10.608 1.00 20.43 O ATOM 293 CB VAL A 21 -3.070 -9.682 11.401 1.00 51.21 C ATOM 294 CG1 VAL A 21 -2.088 -10.370 10.464 1.00 2.10 C ATOM 295 CG2 VAL A 21 -2.949 -8.169 11.295 1.00 31.41 C ATOM 0 H VAL A 21 -5.072 -8.610 12.427 1.00 52.41 H new ATOM 0 HA VAL A 21 -4.721 -9.967 10.040 1.00 54.20 H new ATOM 0 HB VAL A 21 -2.825 -9.973 12.423 1.00 51.21 H new ATOM 0 HG11 VAL A 21 -1.075 -10.041 10.694 1.00 2.10 H new ATOM 0 HG12 VAL A 21 -2.157 -11.450 10.594 1.00 2.10 H new ATOM 0 HG13 VAL A 21 -2.328 -10.112 9.432 1.00 2.10 H new ATOM 0 HG21 VAL A 21 -1.924 -7.870 11.513 1.00 31.41 H new ATOM 0 HG22 VAL A 21 -3.213 -7.853 10.286 1.00 31.41 H new ATOM 0 HG23 VAL A 21 -3.624 -7.699 12.010 1.00 31.41 H new ATOM 305 N GLY A 22 -5.178 -11.915 12.598 1.00 13.22 N ATOM 306 CA GLY A 22 -5.354 -13.297 13.002 1.00 14.24 C ATOM 307 C GLY A 22 -6.803 -13.737 12.946 1.00 24.11 C ATOM 308 O GLY A 22 -7.457 -13.880 13.980 1.00 21.41 O ATOM 0 H GLY A 22 -5.488 -11.225 13.283 1.00 13.22 H new ATOM 0 HA2 GLY A 22 -4.757 -13.940 12.356 1.00 14.24 H new ATOM 0 HA3 GLY A 22 -4.977 -13.427 14.017 1.00 14.24 H new ATOM 312 N VAL A 23 -7.310 -13.950 11.736 1.00 22.52 N ATOM 313 CA VAL A 23 -8.693 -14.376 11.550 1.00 53.34 C ATOM 314 C VAL A 23 -9.007 -15.606 12.393 1.00 3.12 C ATOM 315 O VAL A 23 -10.142 -15.801 12.827 1.00 2.13 O ATOM 316 CB VAL A 23 -8.988 -14.691 10.071 1.00 65.20 C ATOM 317 CG1 VAL A 23 -8.213 -15.920 9.622 1.00 10.44 C ATOM 318 CG2 VAL A 23 -10.482 -14.884 9.857 1.00 32.01 C ATOM 0 H VAL A 23 -6.784 -13.835 10.870 1.00 22.52 H new ATOM 0 HA VAL A 23 -9.326 -13.549 11.871 1.00 53.34 H new ATOM 0 HB VAL A 23 -8.663 -13.846 9.465 1.00 65.20 H new ATOM 0 HG11 VAL A 23 -8.434 -16.127 8.575 1.00 10.44 H new ATOM 0 HG12 VAL A 23 -7.144 -15.739 9.738 1.00 10.44 H new ATOM 0 HG13 VAL A 23 -8.504 -16.776 10.230 1.00 10.44 H new ATOM 0 HG21 VAL A 23 -10.674 -15.106 8.807 1.00 32.01 H new ATOM 0 HG22 VAL A 23 -10.834 -15.712 10.473 1.00 32.01 H new ATOM 0 HG23 VAL A 23 -11.010 -13.973 10.138 1.00 32.01 H new ATOM 328 N GLY A 24 -7.994 -16.434 12.623 1.00 34.51 N ATOM 329 CA GLY A 24 -8.182 -17.637 13.415 1.00 41.52 C ATOM 330 C GLY A 24 -7.079 -17.838 14.436 1.00 51.33 C ATOM 331 O GLY A 24 -5.977 -17.312 14.281 1.00 42.24 O ATOM 0 H GLY A 24 -7.045 -16.294 12.275 1.00 34.51 H new ATOM 0 HA2 GLY A 24 -9.142 -17.584 13.928 1.00 41.52 H new ATOM 0 HA3 GLY A 24 -8.222 -18.502 12.753 1.00 41.52 H new ATOM 335 N GLY A 25 -7.378 -18.599 15.484 1.00 71.14 N ATOM 336 CA GLY A 25 -6.393 -18.852 16.520 1.00 32.01 C ATOM 337 C GLY A 25 -6.286 -17.710 17.510 1.00 53.04 C ATOM 338 O GLY A 25 -7.261 -17.356 18.172 1.00 5.34 O ATOM 0 H GLY A 25 -8.283 -19.044 15.634 1.00 71.14 H new ATOM 0 HA2 GLY A 25 -6.656 -19.766 17.052 1.00 32.01 H new ATOM 0 HA3 GLY A 25 -5.420 -19.021 16.058 1.00 32.01 H new ATOM 342 N LYS A 26 -5.095 -17.129 17.614 1.00 62.33 N ATOM 343 CA LYS A 26 -4.861 -16.019 18.531 1.00 35.14 C ATOM 344 C LYS A 26 -5.218 -14.689 17.876 1.00 35.33 C ATOM 345 O LYS A 26 -4.998 -14.497 16.679 1.00 2.41 O ATOM 346 CB LYS A 26 -3.398 -16.003 18.982 1.00 10.44 C ATOM 347 CG LYS A 26 -3.123 -16.887 20.185 1.00 43.00 C ATOM 348 CD LYS A 26 -2.622 -16.078 21.369 1.00 3.32 C ATOM 349 CE LYS A 26 -2.924 -16.774 22.688 1.00 4.50 C ATOM 350 NZ LYS A 26 -4.382 -16.781 22.990 1.00 5.12 N ATOM 0 H LYS A 26 -4.276 -17.409 17.074 1.00 62.33 H new ATOM 0 HA LYS A 26 -5.501 -16.158 19.402 1.00 35.14 H new ATOM 0 HB2 LYS A 26 -2.768 -16.325 18.153 1.00 10.44 H new ATOM 0 HB3 LYS A 26 -3.111 -14.979 19.221 1.00 10.44 H new ATOM 0 HG2 LYS A 26 -4.034 -17.416 20.464 1.00 43.00 H new ATOM 0 HG3 LYS A 26 -2.383 -17.643 19.921 1.00 43.00 H new ATOM 0 HD2 LYS A 26 -1.547 -15.923 21.276 1.00 3.32 H new ATOM 0 HD3 LYS A 26 -3.088 -15.093 21.361 1.00 3.32 H new ATOM 0 HE2 LYS A 26 -2.556 -17.799 22.650 1.00 4.50 H new ATOM 0 HE3 LYS A 26 -2.388 -16.273 23.494 1.00 4.50 H new ATOM 0 HZ1 LYS A 26 -4.525 -16.926 24.010 1.00 5.12 H new ATOM 0 HZ2 LYS A 26 -4.799 -15.871 22.708 1.00 5.12 H new ATOM 0 HZ3 LYS A 26 -4.842 -17.551 22.463 1.00 5.12 H new ATOM 364 N SER A 27 -5.765 -13.773 18.667 1.00 42.10 N ATOM 365 CA SER A 27 -6.154 -12.461 18.163 1.00 51.12 C ATOM 366 C SER A 27 -4.924 -11.614 17.846 1.00 61.13 C ATOM 367 O SER A 27 -3.895 -11.718 18.515 1.00 45.30 O ATOM 368 CB SER A 27 -7.034 -11.739 19.185 1.00 4.22 C ATOM 369 OG SER A 27 -7.346 -10.426 18.752 1.00 1.01 O ATOM 0 H SER A 27 -5.949 -13.915 19.660 1.00 42.10 H new ATOM 0 HA SER A 27 -6.721 -12.606 17.244 1.00 51.12 H new ATOM 0 HB2 SER A 27 -7.954 -12.303 19.340 1.00 4.22 H new ATOM 0 HB3 SER A 27 -6.521 -11.696 20.146 1.00 4.22 H new ATOM 0 HG SER A 27 -7.911 -9.986 19.422 1.00 1.01 H new ATOM 375 N LYS A 28 -5.038 -10.777 16.822 1.00 54.41 N ATOM 376 CA LYS A 28 -3.938 -9.910 16.415 1.00 1.21 C ATOM 377 C LYS A 28 -4.437 -8.782 15.517 1.00 23.22 C ATOM 378 O LYS A 28 -5.213 -9.011 14.589 1.00 12.12 O ATOM 379 CB LYS A 28 -2.866 -10.722 15.685 1.00 51.23 C ATOM 380 CG LYS A 28 -1.463 -10.503 16.226 1.00 1.53 C ATOM 381 CD LYS A 28 -0.666 -11.796 16.248 1.00 41.41 C ATOM 382 CE LYS A 28 0.551 -11.685 17.153 1.00 52.12 C ATOM 383 NZ LYS A 28 1.620 -10.846 16.544 1.00 75.44 N ATOM 0 H LYS A 28 -5.882 -10.680 16.257 1.00 54.41 H new ATOM 0 HA LYS A 28 -3.504 -9.470 17.313 1.00 1.21 H new ATOM 0 HB2 LYS A 28 -3.113 -11.781 15.757 1.00 51.23 H new ATOM 0 HB3 LYS A 28 -2.883 -10.462 14.627 1.00 51.23 H new ATOM 0 HG2 LYS A 28 -0.946 -9.766 15.611 1.00 1.53 H new ATOM 0 HG3 LYS A 28 -1.521 -10.093 17.234 1.00 1.53 H new ATOM 0 HD2 LYS A 28 -1.303 -12.611 16.591 1.00 41.41 H new ATOM 0 HD3 LYS A 28 -0.347 -12.045 15.236 1.00 41.41 H new ATOM 0 HE2 LYS A 28 0.254 -11.256 18.110 1.00 52.12 H new ATOM 0 HE3 LYS A 28 0.943 -12.681 17.358 1.00 52.12 H new ATOM 0 HZ1 LYS A 28 2.432 -10.795 17.191 1.00 75.44 H new ATOM 0 HZ2 LYS A 28 1.922 -11.268 15.643 1.00 75.44 H new ATOM 0 HZ3 LYS A 28 1.254 -9.888 16.372 1.00 75.44 H new ATOM 397 N LYS A 29 -3.986 -7.565 15.798 1.00 74.01 N ATOM 398 CA LYS A 29 -4.384 -6.401 15.015 1.00 32.00 C ATOM 399 C LYS A 29 -3.198 -5.838 14.238 1.00 12.22 C ATOM 400 O LYS A 29 -2.059 -5.886 14.702 1.00 42.44 O ATOM 401 CB LYS A 29 -4.969 -5.322 15.928 1.00 35.11 C ATOM 402 CG LYS A 29 -6.486 -5.267 15.910 1.00 43.04 C ATOM 403 CD LYS A 29 -7.092 -6.292 16.854 1.00 43.03 C ATOM 404 CE LYS A 29 -8.035 -5.639 17.854 1.00 25.53 C ATOM 405 NZ LYS A 29 -9.157 -4.932 17.178 1.00 43.03 N ATOM 0 H LYS A 29 -3.344 -7.358 16.563 1.00 74.01 H new ATOM 0 HA LYS A 29 -5.146 -6.716 14.302 1.00 32.00 H new ATOM 0 HB2 LYS A 29 -4.632 -5.501 16.949 1.00 35.11 H new ATOM 0 HB3 LYS A 29 -4.575 -4.351 15.628 1.00 35.11 H new ATOM 0 HG2 LYS A 29 -6.818 -4.268 16.194 1.00 43.04 H new ATOM 0 HG3 LYS A 29 -6.846 -5.447 14.897 1.00 43.04 H new ATOM 0 HD2 LYS A 29 -7.633 -7.043 16.279 1.00 43.03 H new ATOM 0 HD3 LYS A 29 -6.296 -6.812 17.388 1.00 43.03 H new ATOM 0 HE2 LYS A 29 -8.436 -6.399 18.525 1.00 25.53 H new ATOM 0 HE3 LYS A 29 -7.479 -4.932 18.470 1.00 25.53 H new ATOM 0 HZ1 LYS A 29 -9.958 -4.842 17.836 1.00 43.03 H new ATOM 0 HZ2 LYS A 29 -8.843 -3.985 16.883 1.00 43.03 H new ATOM 0 HZ3 LYS A 29 -9.455 -5.474 16.342 1.00 43.03 H new ATOM 419 N PHE A 30 -3.474 -5.302 13.053 1.00 10.12 N ATOM 420 CA PHE A 30 -2.430 -4.728 12.211 1.00 65.13 C ATOM 421 C PHE A 30 -1.839 -3.478 12.855 1.00 63.32 C ATOM 422 O PHE A 30 -2.209 -3.104 13.967 1.00 70.45 O ATOM 423 CB PHE A 30 -2.990 -4.388 10.829 1.00 53.23 C ATOM 424 CG PHE A 30 -2.481 -5.286 9.738 1.00 0.04 C ATOM 425 CD1 PHE A 30 -3.363 -5.938 8.892 1.00 23.05 C ATOM 426 CD2 PHE A 30 -1.121 -5.480 9.560 1.00 51.00 C ATOM 427 CE1 PHE A 30 -2.899 -6.767 7.888 1.00 13.45 C ATOM 428 CE2 PHE A 30 -0.651 -6.306 8.556 1.00 74.23 C ATOM 429 CZ PHE A 30 -1.540 -6.950 7.720 1.00 24.24 C ATOM 0 H PHE A 30 -4.412 -5.253 12.654 1.00 10.12 H new ATOM 0 HA PHE A 30 -1.637 -5.468 12.102 1.00 65.13 H new ATOM 0 HB2 PHE A 30 -4.078 -4.450 10.861 1.00 53.23 H new ATOM 0 HB3 PHE A 30 -2.736 -3.356 10.587 1.00 53.23 H new ATOM 0 HD1 PHE A 30 -4.426 -5.797 9.018 1.00 23.05 H new ATOM 0 HD2 PHE A 30 -0.420 -4.981 10.213 1.00 51.00 H new ATOM 0 HE1 PHE A 30 -3.597 -7.271 7.236 1.00 13.45 H new ATOM 0 HE2 PHE A 30 0.412 -6.447 8.426 1.00 74.23 H new ATOM 0 HZ PHE A 30 -1.174 -7.596 6.936 1.00 24.24 H new ATOM 439 N GLY A 31 -0.916 -2.834 12.147 1.00 30.11 N ATOM 440 CA GLY A 31 -0.286 -1.633 12.665 1.00 22.22 C ATOM 441 C GLY A 31 0.716 -1.040 11.694 1.00 63.53 C ATOM 442 O GLY A 31 1.078 -1.672 10.703 1.00 43.34 O ATOM 0 H GLY A 31 -0.593 -3.123 11.224 1.00 30.11 H new ATOM 0 HA2 GLY A 31 -1.053 -0.892 12.889 1.00 22.22 H new ATOM 0 HA3 GLY A 31 0.216 -1.866 13.604 1.00 22.22 H new ATOM 446 N GLU A 32 1.163 0.178 11.981 1.00 53.34 N ATOM 447 CA GLU A 32 2.128 0.858 11.123 1.00 63.24 C ATOM 448 C GLU A 32 3.389 0.017 10.951 1.00 14.32 C ATOM 449 O GLU A 32 3.946 -0.070 9.857 1.00 52.40 O ATOM 450 CB GLU A 32 2.489 2.225 11.709 1.00 34.04 C ATOM 451 CG GLU A 32 3.051 2.154 13.118 1.00 64.33 C ATOM 452 CD GLU A 32 2.869 3.450 13.885 1.00 34.43 C ATOM 453 OE1 GLU A 32 3.803 3.842 14.616 1.00 54.15 O ATOM 454 OE2 GLU A 32 1.794 4.070 13.755 1.00 53.43 O ATOM 0 H GLU A 32 0.874 0.714 12.799 1.00 53.34 H new ATOM 0 HA GLU A 32 1.670 1.000 10.144 1.00 63.24 H new ATOM 0 HB2 GLU A 32 3.219 2.708 11.060 1.00 34.04 H new ATOM 0 HB3 GLU A 32 1.600 2.855 11.713 1.00 34.04 H new ATOM 0 HG2 GLU A 32 2.562 1.344 13.660 1.00 64.33 H new ATOM 0 HG3 GLU A 32 4.112 1.911 13.070 1.00 64.33 H new ATOM 461 N GLY A 33 3.835 -0.602 12.039 1.00 43.25 N ATOM 462 CA GLY A 33 5.027 -1.428 11.988 1.00 55.32 C ATOM 463 C GLY A 33 4.857 -2.635 11.089 1.00 32.31 C ATOM 464 O GLY A 33 5.663 -2.865 10.188 1.00 51.32 O ATOM 0 H GLY A 33 3.392 -0.546 12.956 1.00 43.25 H new ATOM 0 HA2 GLY A 33 5.865 -0.829 11.632 1.00 55.32 H new ATOM 0 HA3 GLY A 33 5.278 -1.761 12.995 1.00 55.32 H new ATOM 468 N ASN A 34 3.806 -3.411 11.334 1.00 74.20 N ATOM 469 CA ASN A 34 3.535 -4.604 10.541 1.00 33.05 C ATOM 470 C ASN A 34 3.376 -4.252 9.065 1.00 52.34 C ATOM 471 O ASN A 34 3.987 -4.875 8.196 1.00 60.34 O ATOM 472 CB ASN A 34 2.272 -5.303 11.048 1.00 23.23 C ATOM 473 CG ASN A 34 2.359 -5.657 12.520 1.00 70.11 C ATOM 474 OD1 ASN A 34 3.419 -6.036 13.018 1.00 11.23 O ATOM 475 ND2 ASN A 34 1.240 -5.533 13.225 1.00 74.10 N ATOM 0 H ASN A 34 3.128 -3.235 12.076 1.00 74.20 H new ATOM 0 HA ASN A 34 4.384 -5.280 10.646 1.00 33.05 H new ATOM 0 HB2 ASN A 34 1.411 -4.656 10.883 1.00 23.23 H new ATOM 0 HB3 ASN A 34 2.105 -6.211 10.468 1.00 23.23 H new ATOM 0 HD21 ASN A 34 1.237 -5.756 14.220 1.00 74.10 H new ATOM 0 HD22 ASN A 34 0.384 -5.215 12.771 1.00 74.10 H new ATOM 482 N PHE A 35 2.552 -3.246 8.788 1.00 21.40 N ATOM 483 CA PHE A 35 2.312 -2.810 7.417 1.00 55.03 C ATOM 484 C PHE A 35 3.627 -2.519 6.701 1.00 61.32 C ATOM 485 O PHE A 35 3.805 -2.878 5.537 1.00 3.45 O ATOM 486 CB PHE A 35 1.426 -1.563 7.405 1.00 5.11 C ATOM 487 CG PHE A 35 1.287 -0.940 6.045 1.00 5.32 C ATOM 488 CD1 PHE A 35 1.013 -1.722 4.935 1.00 53.00 C ATOM 489 CD2 PHE A 35 1.430 0.429 5.878 1.00 32.45 C ATOM 490 CE1 PHE A 35 0.885 -1.152 3.682 1.00 3.13 C ATOM 491 CE2 PHE A 35 1.302 1.004 4.628 1.00 2.12 C ATOM 492 CZ PHE A 35 1.030 0.213 3.528 1.00 23.23 C ATOM 0 H PHE A 35 2.040 -2.718 9.494 1.00 21.40 H new ATOM 0 HA PHE A 35 1.802 -3.616 6.890 1.00 55.03 H new ATOM 0 HB2 PHE A 35 0.436 -1.827 7.778 1.00 5.11 H new ATOM 0 HB3 PHE A 35 1.840 -0.826 8.093 1.00 5.11 H new ATOM 0 HD1 PHE A 35 0.898 -2.790 5.050 1.00 53.00 H new ATOM 0 HD2 PHE A 35 1.644 1.052 6.734 1.00 32.45 H new ATOM 0 HE1 PHE A 35 0.672 -1.773 2.825 1.00 3.13 H new ATOM 0 HE2 PHE A 35 1.415 2.072 4.511 1.00 2.12 H new ATOM 0 HZ PHE A 35 0.931 0.661 2.550 1.00 23.23 H new ATOM 502 N ARG A 36 4.546 -1.867 7.405 1.00 72.31 N ATOM 503 CA ARG A 36 5.845 -1.527 6.837 1.00 51.02 C ATOM 504 C ARG A 36 6.667 -2.783 6.566 1.00 24.33 C ATOM 505 O ARG A 36 7.311 -2.902 5.525 1.00 35.52 O ATOM 506 CB ARG A 36 6.611 -0.598 7.781 1.00 11.44 C ATOM 507 CG ARG A 36 5.962 0.766 7.953 1.00 34.15 C ATOM 508 CD ARG A 36 6.530 1.780 6.971 1.00 3.14 C ATOM 509 NE ARG A 36 6.818 3.060 7.612 1.00 75.05 N ATOM 510 CZ ARG A 36 7.915 3.295 8.324 1.00 21.24 C ATOM 511 NH1 ARG A 36 8.821 2.340 8.485 1.00 2.12 N ATOM 512 NH2 ARG A 36 8.106 4.485 8.876 1.00 71.45 N ATOM 0 H ARG A 36 4.415 -1.563 8.370 1.00 72.31 H new ATOM 0 HA ARG A 36 5.675 -1.014 5.890 1.00 51.02 H new ATOM 0 HB2 ARG A 36 6.697 -1.076 8.757 1.00 11.44 H new ATOM 0 HB3 ARG A 36 7.624 -0.464 7.402 1.00 11.44 H new ATOM 0 HG2 ARG A 36 4.885 0.679 7.806 1.00 34.15 H new ATOM 0 HG3 ARG A 36 6.118 1.118 8.973 1.00 34.15 H new ATOM 0 HD2 ARG A 36 7.443 1.383 6.528 1.00 3.14 H new ATOM 0 HD3 ARG A 36 5.821 1.933 6.157 1.00 3.14 H new ATOM 0 HE ARG A 36 6.140 3.815 7.507 1.00 75.05 H new ATOM 0 HH11 ARG A 36 8.676 1.423 8.062 1.00 2.12 H new ATOM 0 HH12 ARG A 36 9.662 2.522 9.032 1.00 2.12 H new ATOM 0 HH21 ARG A 36 7.411 5.221 8.754 1.00 71.45 H new ATOM 0 HH22 ARG A 36 8.948 4.664 9.422 1.00 71.45 H new ATOM 526 N TRP A 37 6.638 -3.717 7.509 1.00 60.41 N ATOM 527 CA TRP A 37 7.380 -4.965 7.373 1.00 34.02 C ATOM 528 C TRP A 37 6.953 -5.718 6.118 1.00 2.21 C ATOM 529 O TRP A 37 7.755 -6.415 5.497 1.00 74.14 O ATOM 530 CB TRP A 37 7.171 -5.845 8.607 1.00 34.02 C ATOM 531 CG TRP A 37 7.712 -7.233 8.445 1.00 73.21 C ATOM 532 CD1 TRP A 37 8.910 -7.704 8.901 1.00 22.42 C ATOM 533 CD2 TRP A 37 7.075 -8.329 7.778 1.00 75.51 C ATOM 534 NE1 TRP A 37 9.057 -9.027 8.559 1.00 72.22 N ATOM 535 CE2 TRP A 37 7.945 -9.434 7.870 1.00 21.32 C ATOM 536 CE3 TRP A 37 5.857 -8.485 7.115 1.00 13.53 C ATOM 537 CZ2 TRP A 37 7.632 -10.675 7.321 1.00 61.12 C ATOM 538 CZ3 TRP A 37 5.546 -9.718 6.570 1.00 75.05 C ATOM 539 CH2 TRP A 37 6.431 -10.799 6.677 1.00 52.03 C ATOM 0 H TRP A 37 6.108 -3.634 8.377 1.00 60.41 H new ATOM 0 HA TRP A 37 8.439 -4.721 7.285 1.00 34.02 H new ATOM 0 HB2 TRP A 37 7.650 -5.374 9.466 1.00 34.02 H new ATOM 0 HB3 TRP A 37 6.105 -5.902 8.828 1.00 34.02 H new ATOM 0 HD1 TRP A 37 9.636 -7.122 9.450 1.00 22.42 H new ATOM 0 HE1 TRP A 37 9.863 -9.611 8.782 1.00 72.22 H new ATOM 0 HE3 TRP A 37 5.169 -7.657 7.029 1.00 13.53 H new ATOM 0 HZ2 TRP A 37 8.313 -11.510 7.401 1.00 61.12 H new ATOM 0 HZ3 TRP A 37 4.606 -9.849 6.054 1.00 75.05 H new ATOM 0 HH2 TRP A 37 6.160 -11.750 6.242 1.00 52.03 H new ATOM 550 N ALA A 38 5.685 -5.573 5.749 1.00 3.44 N ATOM 551 CA ALA A 38 5.152 -6.239 4.567 1.00 14.10 C ATOM 552 C ALA A 38 5.654 -5.572 3.290 1.00 20.43 C ATOM 553 O ALA A 38 6.269 -6.220 2.442 1.00 73.42 O ATOM 554 CB ALA A 38 3.630 -6.238 4.601 1.00 35.22 C ATOM 0 H ALA A 38 5.007 -5.000 6.252 1.00 3.44 H new ATOM 0 HA ALA A 38 5.504 -7.271 4.571 1.00 14.10 H new ATOM 0 HB1 ALA A 38 3.246 -6.739 3.712 1.00 35.22 H new ATOM 0 HB2 ALA A 38 3.286 -6.764 5.491 1.00 35.22 H new ATOM 0 HB3 ALA A 38 3.267 -5.210 4.624 1.00 35.22 H new ATOM 560 N ILE A 39 5.386 -4.278 3.159 1.00 54.33 N ATOM 561 CA ILE A 39 5.812 -3.525 1.985 1.00 34.44 C ATOM 562 C ILE A 39 7.329 -3.562 1.828 1.00 3.20 C ATOM 563 O ILE A 39 7.846 -3.666 0.716 1.00 23.00 O ATOM 564 CB ILE A 39 5.350 -2.058 2.059 1.00 10.04 C ATOM 565 CG1 ILE A 39 5.845 -1.283 0.836 1.00 42.21 C ATOM 566 CG2 ILE A 39 5.850 -1.409 3.341 1.00 20.34 C ATOM 567 CD1 ILE A 39 5.396 0.162 0.814 1.00 61.11 C ATOM 0 H ILE A 39 4.876 -3.729 3.851 1.00 54.33 H new ATOM 0 HA ILE A 39 5.348 -4.000 1.120 1.00 34.44 H new ATOM 0 HB ILE A 39 4.260 -2.036 2.064 1.00 10.04 H new ATOM 0 HG12 ILE A 39 6.934 -1.317 0.811 1.00 42.21 H new ATOM 0 HG13 ILE A 39 5.490 -1.779 -0.067 1.00 42.21 H new ATOM 0 HG21 ILE A 39 5.515 -0.372 3.379 1.00 20.34 H new ATOM 0 HG22 ILE A 39 5.454 -1.950 4.201 1.00 20.34 H new ATOM 0 HG23 ILE A 39 6.939 -1.440 3.363 1.00 20.34 H new ATOM 0 HD11 ILE A 39 5.783 0.650 -0.080 1.00 61.11 H new ATOM 0 HD12 ILE A 39 4.307 0.205 0.808 1.00 61.11 H new ATOM 0 HD13 ILE A 39 5.774 0.674 1.699 1.00 61.11 H new ATOM 579 N ARG A 40 8.036 -3.477 2.950 1.00 31.33 N ATOM 580 CA ARG A 40 9.493 -3.502 2.938 1.00 15.11 C ATOM 581 C ARG A 40 10.010 -4.833 2.399 1.00 70.34 C ATOM 582 O ARG A 40 10.799 -4.867 1.455 1.00 61.31 O ATOM 583 CB ARG A 40 10.041 -3.262 4.347 1.00 20.03 C ATOM 584 CG ARG A 40 11.548 -3.078 4.390 1.00 61.31 C ATOM 585 CD ARG A 40 12.095 -3.293 5.793 1.00 22.21 C ATOM 586 NE ARG A 40 12.495 -2.038 6.424 1.00 21.44 N ATOM 587 CZ ARG A 40 13.030 -1.963 7.637 1.00 23.54 C ATOM 588 NH1 ARG A 40 13.229 -3.066 8.348 1.00 11.41 N ATOM 589 NH2 ARG A 40 13.367 -0.784 8.143 1.00 73.54 N ATOM 0 H ARG A 40 7.623 -3.390 3.879 1.00 31.33 H new ATOM 0 HA ARG A 40 9.839 -2.705 2.281 1.00 15.11 H new ATOM 0 HB2 ARG A 40 9.563 -2.377 4.768 1.00 20.03 H new ATOM 0 HB3 ARG A 40 9.768 -4.104 4.982 1.00 20.03 H new ATOM 0 HG2 ARG A 40 12.021 -3.779 3.702 1.00 61.31 H new ATOM 0 HG3 ARG A 40 11.803 -2.075 4.048 1.00 61.31 H new ATOM 0 HD2 ARG A 40 11.338 -3.782 6.406 1.00 22.21 H new ATOM 0 HD3 ARG A 40 12.952 -3.965 5.749 1.00 22.21 H new ATOM 0 HE ARG A 40 12.356 -1.171 5.904 1.00 21.44 H new ATOM 0 HH11 ARG A 40 12.971 -3.975 7.963 1.00 11.41 H new ATOM 0 HH12 ARG A 40 13.640 -3.005 9.279 1.00 11.41 H new ATOM 0 HH21 ARG A 40 13.215 0.066 7.600 1.00 73.54 H new ATOM 0 HH22 ARG A 40 13.778 -0.728 9.075 1.00 73.54 H new ATOM 603 N MET A 41 9.561 -5.926 3.007 1.00 32.32 N ATOM 604 CA MET A 41 9.978 -7.259 2.588 1.00 72.43 C ATOM 605 C MET A 41 9.526 -7.546 1.160 1.00 1.05 C ATOM 606 O MET A 41 10.334 -7.897 0.301 1.00 24.15 O ATOM 607 CB MET A 41 9.411 -8.316 3.537 1.00 61.14 C ATOM 608 CG MET A 41 9.965 -9.711 3.294 1.00 62.11 C ATOM 609 SD MET A 41 11.428 -10.061 4.290 1.00 44.13 S ATOM 610 CE MET A 41 10.690 -10.892 5.695 1.00 23.25 C ATOM 0 H MET A 41 8.909 -5.915 3.791 1.00 32.32 H new ATOM 0 HA MET A 41 11.067 -7.299 2.621 1.00 72.43 H new ATOM 0 HB2 MET A 41 9.626 -8.023 4.565 1.00 61.14 H new ATOM 0 HB3 MET A 41 8.326 -8.342 3.433 1.00 61.14 H new ATOM 0 HG2 MET A 41 9.194 -10.448 3.517 1.00 62.11 H new ATOM 0 HG3 MET A 41 10.214 -9.820 2.238 1.00 62.11 H new ATOM 0 HE1 MET A 41 11.424 -11.557 6.151 1.00 23.25 H new ATOM 0 HE2 MET A 41 10.367 -10.152 6.427 1.00 23.25 H new ATOM 0 HE3 MET A 41 9.830 -11.474 5.363 1.00 23.25 H new ATOM 620 N ALA A 42 8.228 -7.396 0.913 1.00 63.15 N ATOM 621 CA ALA A 42 7.669 -7.637 -0.410 1.00 11.44 C ATOM 622 C ALA A 42 8.433 -6.862 -1.479 1.00 44.54 C ATOM 623 O ALA A 42 8.533 -7.300 -2.624 1.00 14.44 O ATOM 624 CB ALA A 42 6.195 -7.263 -0.438 1.00 65.11 C ATOM 0 H ALA A 42 7.544 -7.108 1.613 1.00 63.15 H new ATOM 0 HA ALA A 42 7.767 -8.700 -0.629 1.00 11.44 H new ATOM 0 HB1 ALA A 42 5.791 -7.449 -1.433 1.00 65.11 H new ATOM 0 HB2 ALA A 42 5.653 -7.865 0.291 1.00 65.11 H new ATOM 0 HB3 ALA A 42 6.083 -6.207 -0.192 1.00 65.11 H new ATOM 630 N ASN A 43 8.969 -5.707 -1.096 1.00 21.33 N ATOM 631 CA ASN A 43 9.722 -4.871 -2.023 1.00 75.23 C ATOM 632 C ASN A 43 11.049 -5.528 -2.394 1.00 54.33 C ATOM 633 O ASN A 43 11.320 -5.787 -3.567 1.00 45.43 O ATOM 634 CB ASN A 43 9.978 -3.494 -1.406 1.00 1.24 C ATOM 635 CG ASN A 43 8.832 -2.531 -1.646 1.00 4.54 C ATOM 636 OD1 ASN A 43 8.040 -2.709 -2.572 1.00 13.34 O ATOM 637 ND2 ASN A 43 8.736 -1.504 -0.811 1.00 73.14 N ATOM 0 H ASN A 43 8.896 -5.330 -0.151 1.00 21.33 H new ATOM 0 HA ASN A 43 9.129 -4.752 -2.930 1.00 75.23 H new ATOM 0 HB2 ASN A 43 10.138 -3.604 -0.333 1.00 1.24 H new ATOM 0 HB3 ASN A 43 10.894 -3.076 -1.824 1.00 1.24 H new ATOM 0 HD21 ASN A 43 7.984 -0.824 -0.923 1.00 73.14 H new ATOM 0 HD22 ASN A 43 9.414 -1.395 -0.057 1.00 73.14 H new ATOM 644 N VAL A 44 11.873 -5.796 -1.386 1.00 64.53 N ATOM 645 CA VAL A 44 13.170 -6.425 -1.605 1.00 72.01 C ATOM 646 C VAL A 44 13.012 -7.810 -2.222 1.00 12.20 C ATOM 647 O VAL A 44 13.840 -8.242 -3.023 1.00 74.42 O ATOM 648 CB VAL A 44 13.963 -6.548 -0.291 1.00 70.21 C ATOM 649 CG1 VAL A 44 13.153 -7.301 0.754 1.00 71.00 C ATOM 650 CG2 VAL A 44 15.299 -7.232 -0.537 1.00 25.34 C ATOM 0 H VAL A 44 11.665 -5.587 -0.409 1.00 64.53 H new ATOM 0 HA VAL A 44 13.720 -5.784 -2.294 1.00 72.01 H new ATOM 0 HB VAL A 44 14.159 -5.546 0.090 1.00 70.21 H new ATOM 0 HG11 VAL A 44 13.730 -7.378 1.676 1.00 71.00 H new ATOM 0 HG12 VAL A 44 12.225 -6.765 0.951 1.00 71.00 H new ATOM 0 HG13 VAL A 44 12.923 -8.301 0.385 1.00 71.00 H new ATOM 0 HG21 VAL A 44 15.846 -7.310 0.403 1.00 25.34 H new ATOM 0 HG22 VAL A 44 15.128 -8.230 -0.942 1.00 25.34 H new ATOM 0 HG23 VAL A 44 15.882 -6.647 -1.248 1.00 25.34 H new ATOM 660 N SER A 45 11.942 -8.501 -1.844 1.00 64.32 N ATOM 661 CA SER A 45 11.676 -9.840 -2.358 1.00 23.41 C ATOM 662 C SER A 45 11.411 -9.803 -3.859 1.00 34.01 C ATOM 663 O SER A 45 11.637 -10.786 -4.566 1.00 12.25 O ATOM 664 CB SER A 45 10.479 -10.460 -1.632 1.00 54.30 C ATOM 665 OG SER A 45 10.901 -11.425 -0.685 1.00 44.31 O ATOM 0 H SER A 45 11.245 -8.156 -1.184 1.00 64.32 H new ATOM 0 HA SER A 45 12.559 -10.453 -2.178 1.00 23.41 H new ATOM 0 HB2 SER A 45 9.909 -9.678 -1.130 1.00 54.30 H new ATOM 0 HB3 SER A 45 9.811 -10.925 -2.357 1.00 54.30 H new ATOM 0 HG SER A 45 10.118 -11.805 -0.234 1.00 44.31 H new ATOM 671 N THR A 46 10.932 -8.660 -4.342 1.00 24.33 N ATOM 672 CA THR A 46 10.635 -8.494 -5.759 1.00 62.13 C ATOM 673 C THR A 46 11.786 -7.810 -6.484 1.00 55.41 C ATOM 674 O THR A 46 11.595 -7.198 -7.535 1.00 61.23 O ATOM 675 CB THR A 46 9.349 -7.673 -5.970 1.00 23.24 C ATOM 676 OG1 THR A 46 9.292 -6.599 -5.026 1.00 70.12 O ATOM 677 CG2 THR A 46 8.115 -8.552 -5.821 1.00 34.21 C ATOM 0 H THR A 46 10.742 -7.836 -3.772 1.00 24.33 H new ATOM 0 HA THR A 46 10.491 -9.492 -6.172 1.00 62.13 H new ATOM 0 HB THR A 46 9.366 -7.266 -6.981 1.00 23.24 H new ATOM 0 HG1 THR A 46 9.062 -6.953 -4.141 1.00 70.12 H new ATOM 0 HG21 THR A 46 7.219 -7.950 -5.974 1.00 34.21 H new ATOM 0 HG22 THR A 46 8.146 -9.351 -6.561 1.00 34.21 H new ATOM 0 HG23 THR A 46 8.095 -8.984 -4.821 1.00 34.21 H new ATOM 685 N GLY A 47 12.985 -7.916 -5.918 1.00 40.10 N ATOM 686 CA GLY A 47 14.150 -7.301 -6.527 1.00 21.43 C ATOM 687 C GLY A 47 13.937 -5.833 -6.835 1.00 33.54 C ATOM 688 O GLY A 47 14.545 -5.292 -7.759 1.00 52.44 O ATOM 0 H GLY A 47 13.170 -8.417 -5.049 1.00 40.10 H new ATOM 0 HA2 GLY A 47 15.005 -7.408 -5.859 1.00 21.43 H new ATOM 0 HA3 GLY A 47 14.397 -7.830 -7.448 1.00 21.43 H new ATOM 692 N ARG A 48 13.070 -5.187 -6.063 1.00 71.21 N ATOM 693 CA ARG A 48 12.776 -3.773 -6.261 1.00 63.24 C ATOM 694 C ARG A 48 13.403 -2.928 -5.155 1.00 32.10 C ATOM 695 O ARG A 48 13.511 -3.367 -4.011 1.00 34.14 O ATOM 696 CB ARG A 48 11.264 -3.545 -6.297 1.00 61.45 C ATOM 697 CG ARG A 48 10.765 -2.974 -7.613 1.00 13.44 C ATOM 698 CD ARG A 48 9.325 -2.499 -7.505 1.00 44.43 C ATOM 699 NE ARG A 48 9.109 -1.239 -8.213 1.00 31.25 N ATOM 700 CZ ARG A 48 9.026 -1.145 -9.536 1.00 63.45 C ATOM 701 NH1 ARG A 48 9.138 -2.229 -10.289 1.00 22.23 N ATOM 702 NH2 ARG A 48 8.828 0.037 -10.106 1.00 71.54 N ATOM 0 H ARG A 48 12.559 -5.620 -5.294 1.00 71.21 H new ATOM 0 HA ARG A 48 13.205 -3.468 -7.215 1.00 63.24 H new ATOM 0 HB2 ARG A 48 10.758 -4.491 -6.106 1.00 61.45 H new ATOM 0 HB3 ARG A 48 10.988 -2.867 -5.489 1.00 61.45 H new ATOM 0 HG2 ARG A 48 11.402 -2.142 -7.914 1.00 13.44 H new ATOM 0 HG3 ARG A 48 10.841 -3.733 -8.392 1.00 13.44 H new ATOM 0 HD2 ARG A 48 8.660 -3.262 -7.911 1.00 44.43 H new ATOM 0 HD3 ARG A 48 9.062 -2.374 -6.455 1.00 44.43 H new ATOM 0 HE ARG A 48 9.017 -0.386 -7.662 1.00 31.25 H new ATOM 0 HH11 ARG A 48 9.288 -3.139 -9.854 1.00 22.23 H new ATOM 0 HH12 ARG A 48 9.074 -2.154 -11.304 1.00 22.23 H new ATOM 0 HH21 ARG A 48 8.740 0.873 -9.529 1.00 71.54 H new ATOM 0 HH22 ARG A 48 8.764 0.109 -11.121 1.00 71.54 H new ATOM 716 N GLU A 49 13.813 -1.713 -5.506 1.00 33.24 N ATOM 717 CA GLU A 49 14.429 -0.808 -4.545 1.00 75.20 C ATOM 718 C GLU A 49 13.563 -0.666 -3.298 1.00 64.51 C ATOM 719 O GLU A 49 12.353 -0.895 -3.322 1.00 12.32 O ATOM 720 CB GLU A 49 14.660 0.566 -5.178 1.00 21.23 C ATOM 721 CG GLU A 49 13.476 1.069 -5.987 1.00 23.24 C ATOM 722 CD GLU A 49 13.357 2.580 -5.971 1.00 21.41 C ATOM 723 OE1 GLU A 49 13.204 3.151 -4.870 1.00 35.22 O ATOM 724 OE2 GLU A 49 13.417 3.193 -7.058 1.00 24.21 O ATOM 0 H GLU A 49 13.729 -1.334 -6.449 1.00 33.24 H new ATOM 0 HA GLU A 49 15.390 -1.231 -4.253 1.00 75.20 H new ATOM 0 HB2 GLU A 49 14.884 1.286 -4.391 1.00 21.23 H new ATOM 0 HB3 GLU A 49 15.536 0.517 -5.824 1.00 21.23 H new ATOM 0 HG2 GLU A 49 13.574 0.727 -7.017 1.00 23.24 H new ATOM 0 HG3 GLU A 49 12.559 0.632 -5.592 1.00 23.24 H new ATOM 731 N PRO A 50 14.195 -0.281 -2.179 1.00 4.30 N ATOM 732 CA PRO A 50 13.500 -0.100 -0.900 1.00 75.03 C ATOM 733 C PRO A 50 12.572 1.111 -0.910 1.00 22.41 C ATOM 734 O PRO A 50 11.711 1.252 -0.042 1.00 11.44 O ATOM 735 CB PRO A 50 14.642 0.111 0.097 1.00 74.11 C ATOM 736 CG PRO A 50 15.765 0.649 -0.722 1.00 60.23 C ATOM 737 CD PRO A 50 15.634 0.009 -2.076 1.00 42.12 C ATOM 0 HA PRO A 50 12.858 -0.948 -0.662 1.00 75.03 H new ATOM 0 HB2 PRO A 50 14.356 0.809 0.884 1.00 74.11 H new ATOM 0 HB3 PRO A 50 14.920 -0.823 0.585 1.00 74.11 H new ATOM 0 HG2 PRO A 50 15.708 1.735 -0.797 1.00 60.23 H new ATOM 0 HG3 PRO A 50 16.727 0.411 -0.269 1.00 60.23 H new ATOM 0 HD2 PRO A 50 15.967 0.677 -2.870 1.00 42.12 H new ATOM 0 HD3 PRO A 50 16.233 -0.899 -2.151 1.00 42.12 H new ATOM 745 N GLY A 51 12.752 1.981 -1.899 1.00 73.41 N ATOM 746 CA GLY A 51 11.924 3.167 -2.004 1.00 51.15 C ATOM 747 C GLY A 51 10.650 2.917 -2.785 1.00 12.43 C ATOM 748 O GLY A 51 10.314 3.675 -3.696 1.00 21.23 O ATOM 0 H GLY A 51 13.457 1.885 -2.630 1.00 73.41 H new ATOM 0 HA2 GLY A 51 11.670 3.519 -1.004 1.00 51.15 H new ATOM 0 HA3 GLY A 51 12.493 3.962 -2.487 1.00 51.15 H new ATOM 752 N ASP A 52 9.939 1.853 -2.430 1.00 31.03 N ATOM 753 CA ASP A 52 8.694 1.504 -3.106 1.00 75.01 C ATOM 754 C ASP A 52 7.489 1.849 -2.237 1.00 53.11 C ATOM 755 O ASP A 52 6.985 1.007 -1.495 1.00 71.31 O ATOM 756 CB ASP A 52 8.678 0.015 -3.454 1.00 72.41 C ATOM 757 CG ASP A 52 8.859 -0.235 -4.938 1.00 0.24 C ATOM 758 OD1 ASP A 52 10.011 -0.456 -5.367 1.00 1.03 O ATOM 759 OD2 ASP A 52 7.848 -0.211 -5.671 1.00 31.14 O ATOM 0 H ASP A 52 10.203 1.217 -1.678 1.00 31.03 H new ATOM 0 HA ASP A 52 8.634 2.085 -4.026 1.00 75.01 H new ATOM 0 HB2 ASP A 52 9.471 -0.492 -2.904 1.00 72.41 H new ATOM 0 HB3 ASP A 52 7.734 -0.421 -3.128 1.00 72.41 H new ATOM 764 N ILE A 53 7.033 3.094 -2.335 1.00 33.33 N ATOM 765 CA ILE A 53 5.888 3.550 -1.559 1.00 42.53 C ATOM 766 C ILE A 53 4.789 4.094 -2.466 1.00 63.31 C ATOM 767 O ILE A 53 4.578 5.302 -2.571 1.00 11.54 O ATOM 768 CB ILE A 53 6.291 4.641 -0.549 1.00 63.01 C ATOM 769 CG1 ILE A 53 7.269 5.626 -1.193 1.00 23.02 C ATOM 770 CG2 ILE A 53 6.903 4.013 0.694 1.00 31.32 C ATOM 771 CD1 ILE A 53 7.395 6.932 -0.439 1.00 13.43 C ATOM 0 H ILE A 53 7.440 3.804 -2.944 1.00 33.33 H new ATOM 0 HA ILE A 53 5.511 2.684 -1.015 1.00 42.53 H new ATOM 0 HB ILE A 53 5.397 5.188 -0.251 1.00 63.01 H new ATOM 0 HG12 ILE A 53 8.251 5.158 -1.261 1.00 23.02 H new ATOM 0 HG13 ILE A 53 6.944 5.834 -2.212 1.00 23.02 H new ATOM 0 HG21 ILE A 53 7.182 4.797 1.398 1.00 31.32 H new ATOM 0 HG22 ILE A 53 6.176 3.348 1.161 1.00 31.32 H new ATOM 0 HG23 ILE A 53 7.789 3.443 0.415 1.00 31.32 H new ATOM 0 HD11 ILE A 53 8.104 7.581 -0.952 1.00 13.43 H new ATOM 0 HD12 ILE A 53 6.422 7.421 -0.394 1.00 13.43 H new ATOM 0 HD13 ILE A 53 7.750 6.735 0.573 1.00 13.43 H new ATOM 783 N PRO A 54 4.070 3.181 -3.137 1.00 34.31 N ATOM 784 CA PRO A 54 2.980 3.545 -4.046 1.00 41.33 C ATOM 785 C PRO A 54 1.768 4.098 -3.305 1.00 22.02 C ATOM 786 O PRO A 54 1.831 4.363 -2.105 1.00 5.21 O ATOM 787 CB PRO A 54 2.631 2.220 -4.729 1.00 45.40 C ATOM 788 CG PRO A 54 3.058 1.171 -3.762 1.00 54.40 C ATOM 789 CD PRO A 54 4.267 1.724 -3.059 1.00 32.34 C ATOM 0 HA PRO A 54 3.273 4.333 -4.739 1.00 41.33 H new ATOM 0 HB2 PRO A 54 1.564 2.153 -4.940 1.00 45.40 H new ATOM 0 HB3 PRO A 54 3.152 2.116 -5.681 1.00 45.40 H new ATOM 0 HG2 PRO A 54 2.262 0.947 -3.052 1.00 54.40 H new ATOM 0 HG3 PRO A 54 3.297 0.240 -4.276 1.00 54.40 H new ATOM 0 HD2 PRO A 54 4.323 1.381 -2.026 1.00 32.34 H new ATOM 0 HD3 PRO A 54 5.192 1.417 -3.548 1.00 32.34 H new ATOM 797 N GLU A 55 0.665 4.269 -4.027 1.00 60.10 N ATOM 798 CA GLU A 55 -0.562 4.792 -3.436 1.00 34.43 C ATOM 799 C GLU A 55 -1.748 4.588 -4.374 1.00 33.25 C ATOM 800 O GLU A 55 -2.710 5.356 -4.355 1.00 40.21 O ATOM 801 CB GLU A 55 -0.405 6.278 -3.111 1.00 73.24 C ATOM 802 CG GLU A 55 -0.681 6.615 -1.654 1.00 13.02 C ATOM 803 CD GLU A 55 -2.161 6.768 -1.362 1.00 14.44 C ATOM 804 OE1 GLU A 55 -2.914 5.798 -1.589 1.00 33.35 O ATOM 805 OE2 GLU A 55 -2.567 7.858 -0.908 1.00 64.02 O ATOM 0 H GLU A 55 0.596 4.053 -5.021 1.00 60.10 H new ATOM 0 HA GLU A 55 -0.752 4.244 -2.513 1.00 34.43 H new ATOM 0 HB2 GLU A 55 0.608 6.591 -3.362 1.00 73.24 H new ATOM 0 HB3 GLU A 55 -1.082 6.853 -3.743 1.00 73.24 H new ATOM 0 HG2 GLU A 55 -0.268 5.831 -1.019 1.00 13.02 H new ATOM 0 HG3 GLU A 55 -0.166 7.540 -1.395 1.00 13.02 H new ATOM 812 N THR A 56 -1.671 3.547 -5.198 1.00 24.20 N ATOM 813 CA THR A 56 -2.736 3.242 -6.145 1.00 21.44 C ATOM 814 C THR A 56 -3.139 1.773 -6.067 1.00 71.23 C ATOM 815 O THR A 56 -2.285 0.888 -5.991 1.00 71.13 O ATOM 816 CB THR A 56 -2.313 3.570 -7.589 1.00 2.44 C ATOM 817 OG1 THR A 56 -1.392 2.583 -8.066 1.00 12.23 O ATOM 818 CG2 THR A 56 -1.675 4.948 -7.666 1.00 21.15 C ATOM 0 H THR A 56 -0.882 2.901 -5.228 1.00 24.20 H new ATOM 0 HA THR A 56 -3.589 3.864 -5.873 1.00 21.44 H new ATOM 0 HB THR A 56 -3.205 3.566 -8.216 1.00 2.44 H new ATOM 0 HG1 THR A 56 -0.954 2.910 -8.879 1.00 12.23 H new ATOM 0 HG21 THR A 56 -1.384 5.157 -8.695 1.00 21.15 H new ATOM 0 HG22 THR A 56 -2.390 5.699 -7.331 1.00 21.15 H new ATOM 0 HG23 THR A 56 -0.792 4.977 -7.027 1.00 21.15 H new ATOM 826 N LEU A 57 -4.442 1.520 -6.085 1.00 42.22 N ATOM 827 CA LEU A 57 -4.958 0.157 -6.017 1.00 40.12 C ATOM 828 C LEU A 57 -4.318 -0.722 -7.085 1.00 75.44 C ATOM 829 O LEU A 57 -4.139 -1.925 -6.889 1.00 14.50 O ATOM 830 CB LEU A 57 -6.479 0.157 -6.185 1.00 55.10 C ATOM 831 CG LEU A 57 -7.239 -0.926 -5.419 1.00 50.35 C ATOM 832 CD1 LEU A 57 -6.840 -2.307 -5.911 1.00 23.04 C ATOM 833 CD2 LEU A 57 -6.988 -0.797 -3.923 1.00 35.51 C ATOM 0 H LEU A 57 -5.161 2.241 -6.146 1.00 42.22 H new ATOM 0 HA LEU A 57 -4.706 -0.251 -5.038 1.00 40.12 H new ATOM 0 HB2 LEU A 57 -6.859 1.130 -5.872 1.00 55.10 H new ATOM 0 HB3 LEU A 57 -6.707 0.052 -7.246 1.00 55.10 H new ATOM 0 HG LEU A 57 -8.305 -0.792 -5.601 1.00 50.35 H new ATOM 0 HD11 LEU A 57 -7.391 -3.065 -5.354 1.00 23.04 H new ATOM 0 HD12 LEU A 57 -7.072 -2.396 -6.972 1.00 23.04 H new ATOM 0 HD13 LEU A 57 -5.770 -2.452 -5.760 1.00 23.04 H new ATOM 0 HD21 LEU A 57 -7.537 -1.576 -3.394 1.00 35.51 H new ATOM 0 HD22 LEU A 57 -5.922 -0.904 -3.722 1.00 35.51 H new ATOM 0 HD23 LEU A 57 -7.325 0.181 -3.580 1.00 35.51 H new ATOM 845 N ASP A 58 -3.970 -0.114 -8.214 1.00 11.24 N ATOM 846 CA ASP A 58 -3.345 -0.840 -9.313 1.00 21.44 C ATOM 847 C ASP A 58 -1.938 -1.292 -8.935 1.00 53.31 C ATOM 848 O ASP A 58 -1.499 -2.375 -9.320 1.00 40.14 O ATOM 849 CB ASP A 58 -3.295 0.033 -10.567 1.00 11.42 C ATOM 850 CG ASP A 58 -4.652 0.609 -10.926 1.00 35.41 C ATOM 851 OD1 ASP A 58 -4.863 1.817 -10.697 1.00 55.35 O ATOM 852 OD2 ASP A 58 -5.501 -0.151 -11.437 1.00 15.11 O ATOM 0 H ASP A 58 -4.110 0.881 -8.392 1.00 11.24 H new ATOM 0 HA ASP A 58 -3.947 -1.724 -9.521 1.00 21.44 H new ATOM 0 HB2 ASP A 58 -2.587 0.847 -10.411 1.00 11.42 H new ATOM 0 HB3 ASP A 58 -2.922 -0.558 -11.403 1.00 11.42 H new ATOM 857 N GLN A 59 -1.235 -0.451 -8.182 1.00 22.25 N ATOM 858 CA GLN A 59 0.124 -0.763 -7.754 1.00 12.13 C ATOM 859 C GLN A 59 0.132 -1.933 -6.776 1.00 42.23 C ATOM 860 O GLN A 59 0.916 -2.871 -6.920 1.00 31.30 O ATOM 861 CB GLN A 59 0.771 0.463 -7.108 1.00 32.23 C ATOM 862 CG GLN A 59 1.820 1.130 -7.984 1.00 1.13 C ATOM 863 CD GLN A 59 1.369 2.478 -8.509 1.00 13.52 C ATOM 864 OE1 GLN A 59 0.735 2.568 -9.562 1.00 22.55 O ATOM 865 NE2 GLN A 59 1.694 3.538 -7.779 1.00 35.54 N ATOM 0 H GLN A 59 -1.584 0.450 -7.856 1.00 22.25 H new ATOM 0 HA GLN A 59 0.700 -1.047 -8.635 1.00 12.13 H new ATOM 0 HB2 GLN A 59 -0.006 1.189 -6.868 1.00 32.23 H new ATOM 0 HB3 GLN A 59 1.232 0.166 -6.166 1.00 32.23 H new ATOM 0 HG2 GLN A 59 2.739 1.256 -7.412 1.00 1.13 H new ATOM 0 HG3 GLN A 59 2.055 0.477 -8.824 1.00 1.13 H new ATOM 0 HE21 GLN A 59 2.220 3.419 -6.913 1.00 35.54 H new ATOM 0 HE22 GLN A 59 1.418 4.471 -8.084 1.00 35.54 H new ATOM 874 N LEU A 60 -0.746 -1.870 -5.780 1.00 73.20 N ATOM 875 CA LEU A 60 -0.839 -2.924 -4.776 1.00 43.25 C ATOM 876 C LEU A 60 -1.201 -4.258 -5.420 1.00 64.22 C ATOM 877 O LEU A 60 -0.681 -5.306 -5.034 1.00 11.24 O ATOM 878 CB LEU A 60 -1.881 -2.557 -3.718 1.00 51.33 C ATOM 879 CG LEU A 60 -1.479 -1.456 -2.734 1.00 21.10 C ATOM 880 CD1 LEU A 60 -2.607 -0.450 -2.569 1.00 54.24 C ATOM 881 CD2 LEU A 60 -1.098 -2.057 -1.389 1.00 74.11 C ATOM 0 H LEU A 60 -1.403 -1.101 -5.647 1.00 73.20 H new ATOM 0 HA LEU A 60 0.136 -3.024 -4.298 1.00 43.25 H new ATOM 0 HB2 LEU A 60 -2.793 -2.246 -4.227 1.00 51.33 H new ATOM 0 HB3 LEU A 60 -2.124 -3.454 -3.149 1.00 51.33 H new ATOM 0 HG LEU A 60 -0.610 -0.935 -3.136 1.00 21.10 H new ATOM 0 HD11 LEU A 60 -2.303 0.325 -1.866 1.00 54.24 H new ATOM 0 HD12 LEU A 60 -2.834 0.004 -3.534 1.00 54.24 H new ATOM 0 HD13 LEU A 60 -3.494 -0.957 -2.189 1.00 54.24 H new ATOM 0 HD21 LEU A 60 -0.815 -1.260 -0.701 1.00 74.11 H new ATOM 0 HD22 LEU A 60 -1.948 -2.603 -0.981 1.00 74.11 H new ATOM 0 HD23 LEU A 60 -0.258 -2.739 -1.520 1.00 74.11 H new ATOM 893 N ARG A 61 -2.094 -4.212 -6.403 1.00 4.14 N ATOM 894 CA ARG A 61 -2.525 -5.417 -7.101 1.00 61.40 C ATOM 895 C ARG A 61 -1.364 -6.046 -7.866 1.00 21.04 C ATOM 896 O ARG A 61 -1.204 -7.268 -7.880 1.00 72.05 O ATOM 897 CB ARG A 61 -3.669 -5.094 -8.063 1.00 54.31 C ATOM 898 CG ARG A 61 -4.031 -6.245 -8.988 1.00 72.23 C ATOM 899 CD ARG A 61 -3.688 -5.925 -10.435 1.00 21.33 C ATOM 900 NE ARG A 61 -2.391 -6.473 -10.823 1.00 14.31 N ATOM 901 CZ ARG A 61 -1.897 -6.391 -12.054 1.00 22.20 C ATOM 902 NH1 ARG A 61 -2.589 -5.788 -13.011 1.00 65.14 N ATOM 903 NH2 ARG A 61 -0.709 -6.914 -12.329 1.00 24.03 N ATOM 0 H ARG A 61 -2.533 -3.353 -6.734 1.00 4.14 H new ATOM 0 HA ARG A 61 -2.877 -6.131 -6.357 1.00 61.40 H new ATOM 0 HB2 ARG A 61 -4.550 -4.813 -7.485 1.00 54.31 H new ATOM 0 HB3 ARG A 61 -3.393 -4.228 -8.665 1.00 54.31 H new ATOM 0 HG2 ARG A 61 -3.499 -7.144 -8.677 1.00 72.23 H new ATOM 0 HG3 ARG A 61 -5.096 -6.460 -8.904 1.00 72.23 H new ATOM 0 HD2 ARG A 61 -4.462 -6.327 -11.089 1.00 21.33 H new ATOM 0 HD3 ARG A 61 -3.682 -4.844 -10.576 1.00 21.33 H new ATOM 0 HE ARG A 61 -1.834 -6.944 -10.110 1.00 14.31 H new ATOM 0 HH11 ARG A 61 -3.503 -5.386 -12.803 1.00 65.14 H new ATOM 0 HH12 ARG A 61 -2.207 -5.727 -13.955 1.00 65.14 H new ATOM 0 HH21 ARG A 61 -0.174 -7.379 -11.595 1.00 24.03 H new ATOM 0 HH22 ARG A 61 -0.330 -6.851 -13.274 1.00 24.03 H new ATOM 917 N LEU A 62 -0.558 -5.205 -8.504 1.00 50.05 N ATOM 918 CA LEU A 62 0.588 -5.677 -9.273 1.00 64.13 C ATOM 919 C LEU A 62 1.658 -6.259 -8.354 1.00 30.32 C ATOM 920 O LEU A 62 2.222 -7.317 -8.633 1.00 71.23 O ATOM 921 CB LEU A 62 1.177 -4.535 -10.101 1.00 55.02 C ATOM 922 CG LEU A 62 1.865 -4.937 -11.406 1.00 74.43 C ATOM 923 CD1 LEU A 62 1.362 -4.084 -12.561 1.00 63.45 C ATOM 924 CD2 LEU A 62 3.377 -4.817 -11.272 1.00 43.35 C ATOM 0 H LEU A 62 -0.677 -4.192 -8.504 1.00 50.05 H new ATOM 0 HA LEU A 62 0.244 -6.464 -9.944 1.00 64.13 H new ATOM 0 HB2 LEU A 62 0.377 -3.834 -10.337 1.00 55.02 H new ATOM 0 HB3 LEU A 62 1.898 -4.000 -9.483 1.00 55.02 H new ATOM 0 HG LEU A 62 1.620 -5.978 -11.616 1.00 74.43 H new ATOM 0 HD11 LEU A 62 1.863 -4.385 -13.481 1.00 63.45 H new ATOM 0 HD12 LEU A 62 0.286 -4.220 -12.673 1.00 63.45 H new ATOM 0 HD13 LEU A 62 1.576 -3.035 -12.358 1.00 63.45 H new ATOM 0 HD21 LEU A 62 3.850 -5.107 -12.210 1.00 43.35 H new ATOM 0 HD22 LEU A 62 3.641 -3.786 -11.037 1.00 43.35 H new ATOM 0 HD23 LEU A 62 3.725 -5.472 -10.473 1.00 43.35 H new ATOM 936 N VAL A 63 1.931 -5.561 -7.256 1.00 22.33 N ATOM 937 CA VAL A 63 2.930 -6.010 -6.294 1.00 1.43 C ATOM 938 C VAL A 63 2.611 -7.410 -5.783 1.00 3.01 C ATOM 939 O VAL A 63 3.501 -8.251 -5.649 1.00 71.20 O ATOM 940 CB VAL A 63 3.027 -5.048 -5.095 1.00 12.21 C ATOM 941 CG1 VAL A 63 4.052 -5.549 -4.089 1.00 11.14 C ATOM 942 CG2 VAL A 63 3.374 -3.644 -5.567 1.00 0.32 C ATOM 0 H VAL A 63 1.474 -4.683 -7.011 1.00 22.33 H new ATOM 0 HA VAL A 63 3.887 -6.026 -6.816 1.00 1.43 H new ATOM 0 HB VAL A 63 2.056 -5.012 -4.601 1.00 12.21 H new ATOM 0 HG11 VAL A 63 4.106 -4.856 -3.249 1.00 11.14 H new ATOM 0 HG12 VAL A 63 3.756 -6.534 -3.728 1.00 11.14 H new ATOM 0 HG13 VAL A 63 5.029 -5.616 -4.568 1.00 11.14 H new ATOM 0 HG21 VAL A 63 3.439 -2.977 -4.707 1.00 0.32 H new ATOM 0 HG22 VAL A 63 4.332 -3.661 -6.086 1.00 0.32 H new ATOM 0 HG23 VAL A 63 2.600 -3.287 -6.246 1.00 0.32 H new ATOM 952 N ILE A 64 1.335 -7.655 -5.500 1.00 74.44 N ATOM 953 CA ILE A 64 0.899 -8.954 -5.004 1.00 12.52 C ATOM 954 C ILE A 64 1.156 -10.049 -6.034 1.00 63.14 C ATOM 955 O ILE A 64 1.810 -11.050 -5.739 1.00 34.52 O ATOM 956 CB ILE A 64 -0.598 -8.945 -4.644 1.00 31.02 C ATOM 957 CG1 ILE A 64 -0.878 -7.902 -3.560 1.00 12.32 C ATOM 958 CG2 ILE A 64 -1.041 -10.326 -4.185 1.00 23.31 C ATOM 959 CD1 ILE A 64 -2.276 -7.328 -3.621 1.00 25.05 C ATOM 0 H ILE A 64 0.586 -6.971 -5.606 1.00 74.44 H new ATOM 0 HA ILE A 64 1.479 -9.160 -4.105 1.00 12.52 H new ATOM 0 HB ILE A 64 -1.169 -8.679 -5.534 1.00 31.02 H new ATOM 0 HG12 ILE A 64 -0.723 -8.356 -2.581 1.00 12.32 H new ATOM 0 HG13 ILE A 64 -0.156 -7.090 -3.653 1.00 12.32 H new ATOM 0 HG21 ILE A 64 -2.101 -10.303 -3.934 1.00 23.31 H new ATOM 0 HG22 ILE A 64 -0.873 -11.047 -4.985 1.00 23.31 H new ATOM 0 HG23 ILE A 64 -0.467 -10.619 -3.306 1.00 23.31 H new ATOM 0 HD11 ILE A 64 -2.404 -6.596 -2.824 1.00 25.05 H new ATOM 0 HD12 ILE A 64 -2.429 -6.844 -4.586 1.00 25.05 H new ATOM 0 HD13 ILE A 64 -3.004 -8.130 -3.498 1.00 25.05 H new ATOM 971 N CYS A 65 0.639 -9.852 -7.242 1.00 61.24 N ATOM 972 CA CYS A 65 0.814 -10.823 -8.316 1.00 54.33 C ATOM 973 C CYS A 65 2.287 -11.177 -8.495 1.00 60.34 C ATOM 974 O CYS A 65 2.625 -12.305 -8.851 1.00 33.00 O ATOM 975 CB CYS A 65 0.247 -10.272 -9.625 1.00 24.44 C ATOM 976 SG CYS A 65 -0.888 -11.398 -10.469 1.00 44.20 S ATOM 0 H CYS A 65 0.095 -9.029 -7.502 1.00 61.24 H new ATOM 0 HA CYS A 65 0.272 -11.729 -8.046 1.00 54.33 H new ATOM 0 HB2 CYS A 65 -0.273 -9.337 -9.418 1.00 24.44 H new ATOM 0 HB3 CYS A 65 1.073 -10.036 -10.296 1.00 24.44 H new ATOM 0 HG CYS A 65 -1.316 -10.843 -11.564 1.00 44.20 H new ATOM 982 N ASP A 66 3.158 -10.205 -8.246 1.00 2.25 N ATOM 983 CA ASP A 66 4.595 -10.414 -8.380 1.00 51.00 C ATOM 984 C ASP A 66 5.102 -11.395 -7.327 1.00 14.20 C ATOM 985 O ASP A 66 5.740 -12.397 -7.654 1.00 41.41 O ATOM 986 CB ASP A 66 5.338 -9.083 -8.256 1.00 72.42 C ATOM 987 CG ASP A 66 4.852 -8.052 -9.254 1.00 41.50 C ATOM 988 OD1 ASP A 66 4.300 -8.453 -10.301 1.00 40.04 O ATOM 989 OD2 ASP A 66 5.021 -6.844 -8.990 1.00 74.14 O ATOM 0 H ASP A 66 2.894 -9.265 -7.950 1.00 2.25 H new ATOM 0 HA ASP A 66 4.786 -10.837 -9.366 1.00 51.00 H new ATOM 0 HB2 ASP A 66 5.213 -8.693 -7.246 1.00 72.42 H new ATOM 0 HB3 ASP A 66 6.405 -9.251 -8.403 1.00 72.42 H new ATOM 994 N LEU A 67 4.815 -11.099 -6.065 1.00 70.21 N ATOM 995 CA LEU A 67 5.243 -11.955 -4.963 1.00 33.32 C ATOM 996 C LEU A 67 4.708 -13.373 -5.135 1.00 5.42 C ATOM 997 O LEU A 67 5.438 -14.347 -4.957 1.00 64.20 O ATOM 998 CB LEU A 67 4.769 -11.377 -3.628 1.00 14.33 C ATOM 999 CG LEU A 67 5.865 -10.879 -2.685 1.00 54.31 C ATOM 1000 CD1 LEU A 67 6.888 -11.974 -2.431 1.00 30.10 C ATOM 1001 CD2 LEU A 67 6.538 -9.639 -3.257 1.00 33.24 C ATOM 0 H LEU A 67 4.288 -10.274 -5.779 1.00 70.21 H new ATOM 0 HA LEU A 67 6.332 -11.995 -4.968 1.00 33.32 H new ATOM 0 HB2 LEU A 67 4.091 -10.549 -3.834 1.00 14.33 H new ATOM 0 HB3 LEU A 67 4.191 -12.141 -3.109 1.00 14.33 H new ATOM 0 HG LEU A 67 5.406 -10.612 -1.733 1.00 54.31 H new ATOM 0 HD11 LEU A 67 7.660 -11.601 -1.758 1.00 30.10 H new ATOM 0 HD12 LEU A 67 6.395 -12.834 -1.977 1.00 30.10 H new ATOM 0 HD13 LEU A 67 7.343 -12.273 -3.375 1.00 30.10 H new ATOM 0 HD21 LEU A 67 7.315 -9.298 -2.573 1.00 33.24 H new ATOM 0 HD22 LEU A 67 6.984 -9.880 -4.222 1.00 33.24 H new ATOM 0 HD23 LEU A 67 5.797 -8.850 -3.386 1.00 33.24 H new ATOM 1013 N GLN A 68 3.430 -13.478 -5.484 1.00 64.30 N ATOM 1014 CA GLN A 68 2.798 -14.777 -5.681 1.00 5.35 C ATOM 1015 C GLN A 68 3.510 -15.569 -6.774 1.00 44.14 C ATOM 1016 O GLN A 68 3.726 -16.772 -6.639 1.00 32.32 O ATOM 1017 CB GLN A 68 1.322 -14.600 -6.043 1.00 31.43 C ATOM 1018 CG GLN A 68 0.369 -15.238 -5.044 1.00 73.42 C ATOM 1019 CD GLN A 68 -0.964 -15.608 -5.662 1.00 0.24 C ATOM 1020 OE1 GLN A 68 -1.129 -15.565 -6.882 1.00 31.40 O ATOM 1021 NE2 GLN A 68 -1.924 -15.975 -4.822 1.00 44.43 N ATOM 0 H GLN A 68 2.813 -12.680 -5.636 1.00 64.30 H new ATOM 0 HA GLN A 68 2.872 -15.334 -4.747 1.00 5.35 H new ATOM 0 HB2 GLN A 68 1.100 -13.535 -6.116 1.00 31.43 H new ATOM 0 HB3 GLN A 68 1.144 -15.031 -7.028 1.00 31.43 H new ATOM 0 HG2 GLN A 68 0.832 -16.132 -4.626 1.00 73.42 H new ATOM 0 HG3 GLN A 68 0.202 -14.549 -4.216 1.00 73.42 H new ATOM 0 HE21 GLN A 68 -1.743 -15.996 -3.818 1.00 44.43 H new ATOM 0 HE22 GLN A 68 -2.843 -16.236 -5.180 1.00 44.43 H new ATOM 1030 N GLU A 69 3.869 -14.884 -7.854 1.00 34.24 N ATOM 1031 CA GLU A 69 4.556 -15.525 -8.970 1.00 5.21 C ATOM 1032 C GLU A 69 5.858 -16.173 -8.508 1.00 54.15 C ATOM 1033 O GLU A 69 6.130 -17.333 -8.817 1.00 33.31 O ATOM 1034 CB GLU A 69 4.844 -14.505 -10.075 1.00 64.44 C ATOM 1035 CG GLU A 69 5.394 -15.126 -11.347 1.00 12.32 C ATOM 1036 CD GLU A 69 4.730 -14.580 -12.597 1.00 63.21 C ATOM 1037 OE1 GLU A 69 4.859 -13.364 -12.853 1.00 31.53 O ATOM 1038 OE2 GLU A 69 4.080 -15.367 -13.316 1.00 52.04 O ATOM 0 H GLU A 69 3.696 -13.887 -7.981 1.00 34.24 H new ATOM 0 HA GLU A 69 3.904 -16.304 -9.366 1.00 5.21 H new ATOM 0 HB2 GLU A 69 3.925 -13.968 -10.311 1.00 64.44 H new ATOM 0 HB3 GLU A 69 5.557 -13.769 -9.702 1.00 64.44 H new ATOM 0 HG2 GLU A 69 6.467 -14.944 -11.401 1.00 12.32 H new ATOM 0 HG3 GLU A 69 5.255 -16.206 -11.309 1.00 12.32 H new ATOM 1045 N ARG A 70 6.658 -15.415 -7.766 1.00 54.22 N ATOM 1046 CA ARG A 70 7.933 -15.913 -7.263 1.00 72.30 C ATOM 1047 C ARG A 70 7.715 -16.988 -6.203 1.00 70.15 C ATOM 1048 O ARG A 70 8.242 -18.096 -6.310 1.00 42.52 O ATOM 1049 CB ARG A 70 8.759 -14.765 -6.680 1.00 63.04 C ATOM 1050 CG ARG A 70 10.252 -15.045 -6.645 1.00 33.43 C ATOM 1051 CD ARG A 70 11.026 -14.049 -7.494 1.00 41.44 C ATOM 1052 NE ARG A 70 12.469 -14.239 -7.384 1.00 30.34 N ATOM 1053 CZ ARG A 70 13.363 -13.351 -7.805 1.00 43.13 C ATOM 1054 NH1 ARG A 70 12.963 -12.216 -8.361 1.00 62.34 N ATOM 1055 NH2 ARG A 70 14.660 -13.598 -7.670 1.00 52.41 N ATOM 0 H ARG A 70 6.446 -14.453 -7.500 1.00 54.22 H new ATOM 0 HA ARG A 70 8.478 -16.355 -8.097 1.00 72.30 H new ATOM 0 HB2 ARG A 70 8.581 -13.865 -7.268 1.00 63.04 H new ATOM 0 HB3 ARG A 70 8.413 -14.558 -5.667 1.00 63.04 H new ATOM 0 HG2 ARG A 70 10.607 -15.001 -5.616 1.00 33.43 H new ATOM 0 HG3 ARG A 70 10.442 -16.056 -7.005 1.00 33.43 H new ATOM 0 HD2 ARG A 70 10.726 -14.152 -8.537 1.00 41.44 H new ATOM 0 HD3 ARG A 70 10.770 -13.035 -7.187 1.00 41.44 H new ATOM 0 HE ARG A 70 12.810 -15.102 -6.960 1.00 30.34 H new ATOM 0 HH11 ARG A 70 11.967 -12.023 -8.466 1.00 62.34 H new ATOM 0 HH12 ARG A 70 13.651 -11.536 -8.683 1.00 62.34 H new ATOM 0 HH21 ARG A 70 14.971 -14.470 -7.243 1.00 52.41 H new ATOM 0 HH22 ARG A 70 15.346 -12.916 -7.994 1.00 52.41 H new ATOM 1069 N ARG A 71 6.938 -16.652 -5.178 1.00 60.21 N ATOM 1070 CA ARG A 71 6.652 -17.589 -4.097 1.00 51.23 C ATOM 1071 C ARG A 71 6.079 -18.892 -4.644 1.00 0.34 C ATOM 1072 O ARG A 71 6.221 -19.949 -4.031 1.00 62.21 O ATOM 1073 CB ARG A 71 5.673 -16.966 -3.100 1.00 33.02 C ATOM 1074 CG ARG A 71 5.285 -17.898 -1.964 1.00 53.12 C ATOM 1075 CD ARG A 71 4.092 -17.363 -1.188 1.00 64.25 C ATOM 1076 NE ARG A 71 3.156 -18.423 -0.824 1.00 25.35 N ATOM 1077 CZ ARG A 71 2.246 -18.919 -1.657 1.00 73.54 C ATOM 1078 NH1 ARG A 71 2.152 -18.451 -2.894 1.00 4.24 N ATOM 1079 NH2 ARG A 71 1.430 -19.883 -1.252 1.00 33.01 N ATOM 0 H ARG A 71 6.496 -15.739 -5.073 1.00 60.21 H new ATOM 0 HA ARG A 71 7.588 -17.812 -3.585 1.00 51.23 H new ATOM 0 HB2 ARG A 71 6.119 -16.063 -2.682 1.00 33.02 H new ATOM 0 HB3 ARG A 71 4.772 -16.660 -3.631 1.00 33.02 H new ATOM 0 HG2 ARG A 71 5.047 -18.883 -2.365 1.00 53.12 H new ATOM 0 HG3 ARG A 71 6.132 -18.024 -1.290 1.00 53.12 H new ATOM 0 HD2 ARG A 71 4.442 -16.862 -0.285 1.00 64.25 H new ATOM 0 HD3 ARG A 71 3.576 -16.614 -1.788 1.00 64.25 H new ATOM 0 HE ARG A 71 3.203 -18.804 0.121 1.00 25.35 H new ATOM 0 HH11 ARG A 71 2.778 -17.710 -3.208 1.00 4.24 H new ATOM 0 HH12 ARG A 71 1.453 -18.832 -3.532 1.00 4.24 H new ATOM 0 HH21 ARG A 71 1.500 -20.244 -0.301 1.00 33.01 H new ATOM 0 HH22 ARG A 71 0.732 -20.263 -1.892 1.00 33.01 H new ATOM 1093 N GLU A 72 5.429 -18.808 -5.800 1.00 12.44 N ATOM 1094 CA GLU A 72 4.832 -19.981 -6.429 1.00 60.10 C ATOM 1095 C GLU A 72 5.907 -20.880 -7.032 1.00 70.40 C ATOM 1096 O GLU A 72 5.991 -22.066 -6.712 1.00 33.24 O ATOM 1097 CB GLU A 72 3.839 -19.557 -7.512 1.00 11.15 C ATOM 1098 CG GLU A 72 3.199 -20.726 -8.242 1.00 13.44 C ATOM 1099 CD GLU A 72 3.848 -21.001 -9.586 1.00 65.43 C ATOM 1100 OE1 GLU A 72 4.481 -22.067 -9.730 1.00 35.22 O ATOM 1101 OE2 GLU A 72 3.723 -20.150 -10.490 1.00 3.22 O ATOM 0 H GLU A 72 5.302 -17.940 -6.320 1.00 12.44 H new ATOM 0 HA GLU A 72 4.301 -20.543 -5.661 1.00 60.10 H new ATOM 0 HB2 GLU A 72 3.056 -18.951 -7.058 1.00 11.15 H new ATOM 0 HB3 GLU A 72 4.352 -18.924 -8.236 1.00 11.15 H new ATOM 0 HG2 GLU A 72 3.267 -21.619 -7.620 1.00 13.44 H new ATOM 0 HG3 GLU A 72 2.139 -20.521 -8.390 1.00 13.44 H new ATOM 1108 N LYS A 73 6.726 -20.308 -7.907 1.00 32.42 N ATOM 1109 CA LYS A 73 7.797 -21.056 -8.556 1.00 33.04 C ATOM 1110 C LYS A 73 8.662 -21.772 -7.524 1.00 34.34 C ATOM 1111 O LYS A 73 9.177 -22.861 -7.781 1.00 61.41 O ATOM 1112 CB LYS A 73 8.663 -20.118 -9.400 1.00 3.40 C ATOM 1113 CG LYS A 73 8.282 -20.097 -10.871 1.00 25.23 C ATOM 1114 CD LYS A 73 9.339 -19.402 -11.711 1.00 54.52 C ATOM 1115 CE LYS A 73 8.981 -17.946 -11.966 1.00 3.50 C ATOM 1116 NZ LYS A 73 8.489 -17.731 -13.355 1.00 64.44 N ATOM 0 H LYS A 73 6.669 -19.328 -8.184 1.00 32.42 H new ATOM 0 HA LYS A 73 7.342 -21.804 -9.206 1.00 33.04 H new ATOM 0 HB2 LYS A 73 8.586 -19.107 -8.999 1.00 3.40 H new ATOM 0 HB3 LYS A 73 9.706 -20.419 -9.308 1.00 3.40 H new ATOM 0 HG2 LYS A 73 8.147 -21.118 -11.227 1.00 25.23 H new ATOM 0 HG3 LYS A 73 7.326 -19.587 -10.993 1.00 25.23 H new ATOM 0 HD2 LYS A 73 10.302 -19.457 -11.204 1.00 54.52 H new ATOM 0 HD3 LYS A 73 9.449 -19.923 -12.662 1.00 54.52 H new ATOM 0 HE2 LYS A 73 8.216 -17.631 -11.257 1.00 3.50 H new ATOM 0 HE3 LYS A 73 9.856 -17.321 -11.790 1.00 3.50 H new ATOM 0 HZ1 LYS A 73 8.256 -16.726 -13.489 1.00 64.44 H new ATOM 0 HZ2 LYS A 73 9.228 -18.008 -14.032 1.00 64.44 H new ATOM 0 HZ3 LYS A 73 7.639 -18.308 -13.515 1.00 64.44 H new ATOM 1130 N PHE A 74 8.818 -21.156 -6.358 1.00 24.15 N ATOM 1131 CA PHE A 74 9.620 -21.736 -5.288 1.00 40.14 C ATOM 1132 C PHE A 74 8.774 -22.650 -4.407 1.00 64.22 C ATOM 1133 O PHE A 74 9.286 -23.579 -3.784 1.00 20.22 O ATOM 1134 CB PHE A 74 10.251 -20.630 -4.438 1.00 24.40 C ATOM 1135 CG PHE A 74 11.749 -20.707 -4.371 1.00 51.33 C ATOM 1136 CD1 PHE A 74 12.401 -20.757 -3.149 1.00 43.34 C ATOM 1137 CD2 PHE A 74 12.508 -20.728 -5.531 1.00 43.21 C ATOM 1138 CE1 PHE A 74 13.780 -20.827 -3.084 1.00 45.52 C ATOM 1139 CE2 PHE A 74 13.886 -20.799 -5.472 1.00 33.22 C ATOM 1140 CZ PHE A 74 14.523 -20.847 -4.248 1.00 43.23 C ATOM 0 H PHE A 74 8.399 -20.254 -6.130 1.00 24.15 H new ATOM 0 HA PHE A 74 10.411 -22.331 -5.743 1.00 40.14 H new ATOM 0 HB2 PHE A 74 9.963 -19.661 -4.845 1.00 24.40 H new ATOM 0 HB3 PHE A 74 9.847 -20.684 -3.427 1.00 24.40 H new ATOM 0 HD1 PHE A 74 11.824 -20.741 -2.236 1.00 43.34 H new ATOM 0 HD2 PHE A 74 12.016 -20.688 -6.492 1.00 43.21 H new ATOM 0 HE1 PHE A 74 14.275 -20.866 -2.125 1.00 45.52 H new ATOM 0 HE2 PHE A 74 14.465 -20.817 -6.383 1.00 33.22 H new ATOM 0 HZ PHE A 74 15.601 -20.900 -4.201 1.00 43.23 H new ATOM 1150 N GLY A 75 7.473 -22.377 -4.359 1.00 64.10 N ATOM 1151 CA GLY A 75 6.575 -23.183 -3.551 1.00 10.35 C ATOM 1152 C GLY A 75 5.673 -22.340 -2.673 1.00 72.03 C ATOM 1153 O GLY A 75 4.637 -21.851 -3.123 1.00 41.13 O ATOM 0 H GLY A 75 7.025 -21.613 -4.865 1.00 64.10 H new ATOM 0 HA2 GLY A 75 5.963 -23.805 -4.204 1.00 10.35 H new ATOM 0 HA3 GLY A 75 7.160 -23.857 -2.925 1.00 10.35 H new ATOM 1157 N SER A 76 6.065 -22.171 -1.414 1.00 72.32 N ATOM 1158 CA SER A 76 5.282 -21.387 -0.467 1.00 53.45 C ATOM 1159 C SER A 76 6.187 -20.711 0.559 1.00 43.32 C ATOM 1160 O SER A 76 7.405 -20.883 0.537 1.00 62.42 O ATOM 1161 CB SER A 76 4.261 -22.277 0.243 1.00 65.05 C ATOM 1162 OG SER A 76 4.873 -23.448 0.752 1.00 22.42 O ATOM 0 H SER A 76 6.921 -22.567 -1.026 1.00 72.32 H new ATOM 0 HA SER A 76 4.753 -20.613 -1.024 1.00 53.45 H new ATOM 0 HB2 SER A 76 3.795 -21.723 1.058 1.00 65.05 H new ATOM 0 HB3 SER A 76 3.467 -22.550 -0.452 1.00 65.05 H new ATOM 0 HG SER A 76 4.200 -23.999 1.203 1.00 22.42 H new ATOM 1168 N SER A 77 5.581 -19.941 1.457 1.00 63.00 N ATOM 1169 CA SER A 77 6.331 -19.236 2.490 1.00 40.20 C ATOM 1170 C SER A 77 5.391 -18.462 3.410 1.00 74.14 C ATOM 1171 O SER A 77 4.488 -17.764 2.949 1.00 43.00 O ATOM 1172 CB SER A 77 7.342 -18.281 1.853 1.00 70.11 C ATOM 1173 OG SER A 77 7.802 -17.325 2.793 1.00 70.31 O ATOM 0 H SER A 77 4.573 -19.789 1.490 1.00 63.00 H new ATOM 0 HA SER A 77 6.866 -19.975 3.086 1.00 40.20 H new ATOM 0 HB2 SER A 77 8.187 -18.848 1.463 1.00 70.11 H new ATOM 0 HB3 SER A 77 6.882 -17.771 1.006 1.00 70.11 H new ATOM 0 HG SER A 77 8.763 -17.181 2.669 1.00 70.31 H new ATOM 1179 N LYS A 78 5.613 -18.589 4.714 1.00 50.11 N ATOM 1180 CA LYS A 78 4.789 -17.901 5.701 1.00 22.21 C ATOM 1181 C LYS A 78 5.013 -16.393 5.642 1.00 31.33 C ATOM 1182 O LYS A 78 4.060 -15.617 5.599 1.00 2.10 O ATOM 1183 CB LYS A 78 5.103 -18.419 7.107 1.00 3.11 C ATOM 1184 CG LYS A 78 3.895 -18.997 7.825 1.00 2.11 C ATOM 1185 CD LYS A 78 4.193 -20.372 8.399 1.00 0.12 C ATOM 1186 CE LYS A 78 2.921 -21.082 8.833 1.00 0.05 C ATOM 1187 NZ LYS A 78 2.120 -21.548 7.666 1.00 52.20 N ATOM 0 H LYS A 78 6.357 -19.162 5.112 1.00 50.11 H new ATOM 0 HA LYS A 78 3.743 -18.104 5.470 1.00 22.21 H new ATOM 0 HB2 LYS A 78 5.876 -19.185 7.039 1.00 3.11 H new ATOM 0 HB3 LYS A 78 5.514 -17.604 7.702 1.00 3.11 H new ATOM 0 HG2 LYS A 78 3.591 -18.325 8.627 1.00 2.11 H new ATOM 0 HG3 LYS A 78 3.057 -19.065 7.132 1.00 2.11 H new ATOM 0 HD2 LYS A 78 4.711 -20.975 7.653 1.00 0.12 H new ATOM 0 HD3 LYS A 78 4.865 -20.274 9.251 1.00 0.12 H new ATOM 0 HE2 LYS A 78 3.177 -21.935 9.461 1.00 0.05 H new ATOM 0 HE3 LYS A 78 2.318 -20.408 9.441 1.00 0.05 H new ATOM 0 HZ1 LYS A 78 1.375 -22.197 7.993 1.00 52.20 H new ATOM 0 HZ2 LYS A 78 1.684 -20.730 7.195 1.00 52.20 H new ATOM 0 HZ3 LYS A 78 2.741 -22.044 6.995 1.00 52.20 H new ATOM 1201 N GLU A 79 6.280 -15.988 5.636 1.00 63.23 N ATOM 1202 CA GLU A 79 6.627 -14.572 5.582 1.00 21.43 C ATOM 1203 C GLU A 79 6.074 -13.926 4.316 1.00 10.44 C ATOM 1204 O GLU A 79 5.429 -12.878 4.372 1.00 10.12 O ATOM 1205 CB GLU A 79 8.146 -14.395 5.637 1.00 34.21 C ATOM 1206 CG GLU A 79 8.723 -14.519 7.036 1.00 22.42 C ATOM 1207 CD GLU A 79 8.861 -15.961 7.485 1.00 51.41 C ATOM 1208 OE1 GLU A 79 9.987 -16.499 7.413 1.00 63.03 O ATOM 1209 OE2 GLU A 79 7.845 -16.551 7.908 1.00 34.04 O ATOM 0 H GLU A 79 7.081 -16.619 5.668 1.00 63.23 H new ATOM 0 HA GLU A 79 6.180 -14.080 6.446 1.00 21.43 H new ATOM 0 HB2 GLU A 79 8.614 -15.140 4.993 1.00 34.21 H new ATOM 0 HB3 GLU A 79 8.404 -13.416 5.232 1.00 34.21 H new ATOM 0 HG2 GLU A 79 9.701 -14.038 7.066 1.00 22.42 H new ATOM 0 HG3 GLU A 79 8.083 -13.984 7.738 1.00 22.42 H new ATOM 1216 N ILE A 80 6.332 -14.556 3.175 1.00 42.41 N ATOM 1217 CA ILE A 80 5.860 -14.043 1.895 1.00 53.03 C ATOM 1218 C ILE A 80 4.339 -13.925 1.877 1.00 51.01 C ATOM 1219 O ILE A 80 3.792 -12.883 1.516 1.00 40.11 O ATOM 1220 CB ILE A 80 6.307 -14.942 0.727 1.00 23.52 C ATOM 1221 CG1 ILE A 80 7.833 -15.058 0.700 1.00 42.42 C ATOM 1222 CG2 ILE A 80 5.788 -14.394 -0.593 1.00 72.41 C ATOM 1223 CD1 ILE A 80 8.344 -16.075 -0.296 1.00 11.33 C ATOM 0 H ILE A 80 6.866 -15.423 3.111 1.00 42.41 H new ATOM 0 HA ILE A 80 6.301 -13.054 1.770 1.00 53.03 H new ATOM 0 HB ILE A 80 5.888 -15.938 0.873 1.00 23.52 H new ATOM 0 HG12 ILE A 80 8.259 -14.083 0.463 1.00 42.42 H new ATOM 0 HG13 ILE A 80 8.187 -15.327 1.695 1.00 42.42 H new ATOM 0 HG21 ILE A 80 6.113 -15.041 -1.408 1.00 72.41 H new ATOM 0 HG22 ILE A 80 4.699 -14.359 -0.569 1.00 72.41 H new ATOM 0 HG23 ILE A 80 6.180 -13.389 -0.749 1.00 72.41 H new ATOM 0 HD11 ILE A 80 9.433 -16.104 -0.261 1.00 11.33 H new ATOM 0 HD12 ILE A 80 7.947 -17.059 -0.047 1.00 11.33 H new ATOM 0 HD13 ILE A 80 8.021 -15.796 -1.299 1.00 11.33 H new ATOM 1235 N ASP A 81 3.664 -14.998 2.270 1.00 21.33 N ATOM 1236 CA ASP A 81 2.206 -15.016 2.302 1.00 53.31 C ATOM 1237 C ASP A 81 1.667 -13.841 3.113 1.00 50.31 C ATOM 1238 O ASP A 81 0.633 -13.265 2.776 1.00 52.43 O ATOM 1239 CB ASP A 81 1.702 -16.333 2.893 1.00 33.10 C ATOM 1240 CG ASP A 81 0.193 -16.368 3.027 1.00 72.31 C ATOM 1241 OD1 ASP A 81 -0.302 -16.350 4.174 1.00 1.21 O ATOM 1242 OD2 ASP A 81 -0.495 -16.413 1.985 1.00 74.42 O ATOM 0 H ASP A 81 4.103 -15.868 2.571 1.00 21.33 H new ATOM 0 HA ASP A 81 1.844 -14.926 1.278 1.00 53.31 H new ATOM 0 HB2 ASP A 81 2.027 -17.159 2.261 1.00 33.10 H new ATOM 0 HB3 ASP A 81 2.154 -16.485 3.873 1.00 33.10 H new ATOM 1247 N MET A 82 2.374 -13.493 4.183 1.00 44.10 N ATOM 1248 CA MET A 82 1.966 -12.388 5.041 1.00 40.13 C ATOM 1249 C MET A 82 2.016 -11.064 4.284 1.00 62.11 C ATOM 1250 O MET A 82 1.023 -10.340 4.214 1.00 64.51 O ATOM 1251 CB MET A 82 2.864 -12.315 6.278 1.00 32.22 C ATOM 1252 CG MET A 82 2.748 -13.529 7.185 1.00 41.40 C ATOM 1253 SD MET A 82 1.659 -13.242 8.593 1.00 43.51 S ATOM 1254 CE MET A 82 1.754 -14.825 9.424 1.00 53.11 C ATOM 0 H MET A 82 3.232 -13.960 4.476 1.00 44.10 H new ATOM 0 HA MET A 82 0.938 -12.567 5.357 1.00 40.13 H new ATOM 0 HB2 MET A 82 3.901 -12.208 5.959 1.00 32.22 H new ATOM 0 HB3 MET A 82 2.612 -11.421 6.848 1.00 32.22 H new ATOM 0 HG2 MET A 82 2.374 -14.375 6.608 1.00 41.40 H new ATOM 0 HG3 MET A 82 3.739 -13.803 7.547 1.00 41.40 H new ATOM 0 HE1 MET A 82 1.131 -14.805 10.318 1.00 53.11 H new ATOM 0 HE2 MET A 82 1.402 -15.609 8.754 1.00 53.11 H new ATOM 0 HE3 MET A 82 2.787 -15.026 9.707 1.00 53.11 H new ATOM 1264 N ALA A 83 3.179 -10.754 3.719 1.00 2.51 N ATOM 1265 CA ALA A 83 3.356 -9.518 2.966 1.00 31.14 C ATOM 1266 C ALA A 83 2.269 -9.359 1.909 1.00 11.00 C ATOM 1267 O ALA A 83 1.793 -8.252 1.657 1.00 14.04 O ATOM 1268 CB ALA A 83 4.733 -9.488 2.319 1.00 24.21 C ATOM 0 H ALA A 83 4.012 -11.341 3.768 1.00 2.51 H new ATOM 0 HA ALA A 83 3.275 -8.682 3.661 1.00 31.14 H new ATOM 0 HB1 ALA A 83 4.852 -8.560 1.760 1.00 24.21 H new ATOM 0 HB2 ALA A 83 5.499 -9.547 3.092 1.00 24.21 H new ATOM 0 HB3 ALA A 83 4.835 -10.336 1.641 1.00 24.21 H new ATOM 1274 N ILE A 84 1.880 -10.471 1.293 1.00 61.40 N ATOM 1275 CA ILE A 84 0.849 -10.454 0.264 1.00 2.50 C ATOM 1276 C ILE A 84 -0.487 -9.986 0.832 1.00 32.23 C ATOM 1277 O ILE A 84 -1.087 -9.033 0.334 1.00 73.34 O ATOM 1278 CB ILE A 84 0.665 -11.843 -0.373 1.00 20.42 C ATOM 1279 CG1 ILE A 84 1.977 -12.319 -1.000 1.00 55.01 C ATOM 1280 CG2 ILE A 84 -0.444 -11.807 -1.414 1.00 74.22 C ATOM 1281 CD1 ILE A 84 2.054 -13.819 -1.177 1.00 71.51 C ATOM 0 H ILE A 84 2.264 -11.395 1.490 1.00 61.40 H new ATOM 0 HA ILE A 84 1.181 -9.754 -0.503 1.00 2.50 H new ATOM 0 HB ILE A 84 0.380 -12.549 0.407 1.00 20.42 H new ATOM 0 HG12 ILE A 84 2.101 -11.840 -1.971 1.00 55.01 H new ATOM 0 HG13 ILE A 84 2.808 -11.992 -0.375 1.00 55.01 H new ATOM 0 HG21 ILE A 84 -0.561 -12.797 -1.855 1.00 74.22 H new ATOM 0 HG22 ILE A 84 -1.379 -11.508 -0.940 1.00 74.22 H new ATOM 0 HG23 ILE A 84 -0.188 -11.090 -2.194 1.00 74.22 H new ATOM 0 HD11 ILE A 84 3.011 -14.084 -1.627 1.00 71.51 H new ATOM 0 HD12 ILE A 84 1.962 -14.305 -0.206 1.00 71.51 H new ATOM 0 HD13 ILE A 84 1.244 -14.151 -1.827 1.00 71.51 H new ATOM 1293 N VAL A 85 -0.948 -10.663 1.878 1.00 44.24 N ATOM 1294 CA VAL A 85 -2.212 -10.316 2.517 1.00 50.53 C ATOM 1295 C VAL A 85 -2.182 -8.890 3.057 1.00 12.34 C ATOM 1296 O VAL A 85 -3.131 -8.126 2.878 1.00 25.10 O ATOM 1297 CB VAL A 85 -2.542 -11.282 3.670 1.00 21.34 C ATOM 1298 CG1 VAL A 85 -3.846 -10.884 4.344 1.00 42.20 C ATOM 1299 CG2 VAL A 85 -2.612 -12.715 3.162 1.00 15.51 C ATOM 0 H VAL A 85 -0.465 -11.455 2.301 1.00 44.24 H new ATOM 0 HA VAL A 85 -2.985 -10.396 1.753 1.00 50.53 H new ATOM 0 HB VAL A 85 -1.744 -11.221 4.410 1.00 21.34 H new ATOM 0 HG11 VAL A 85 -4.063 -11.578 5.156 1.00 42.20 H new ATOM 0 HG12 VAL A 85 -3.755 -9.874 4.744 1.00 42.20 H new ATOM 0 HG13 VAL A 85 -4.656 -10.914 3.615 1.00 42.20 H new ATOM 0 HG21 VAL A 85 -2.846 -13.384 3.990 1.00 15.51 H new ATOM 0 HG22 VAL A 85 -3.389 -12.794 2.401 1.00 15.51 H new ATOM 0 HG23 VAL A 85 -1.651 -12.995 2.730 1.00 15.51 H new ATOM 1309 N THR A 86 -1.085 -8.536 3.718 1.00 34.52 N ATOM 1310 CA THR A 86 -0.930 -7.203 4.284 1.00 51.22 C ATOM 1311 C THR A 86 -1.153 -6.127 3.227 1.00 61.02 C ATOM 1312 O THR A 86 -1.793 -5.107 3.491 1.00 34.34 O ATOM 1313 CB THR A 86 0.467 -7.014 4.905 1.00 34.35 C ATOM 1314 OG1 THR A 86 0.758 -8.096 5.797 1.00 14.33 O ATOM 1315 CG2 THR A 86 0.553 -5.694 5.656 1.00 42.52 C ATOM 0 H THR A 86 -0.290 -9.155 3.875 1.00 34.52 H new ATOM 0 HA THR A 86 -1.683 -7.103 5.065 1.00 51.22 H new ATOM 0 HB THR A 86 1.199 -7.002 4.098 1.00 34.35 H new ATOM 0 HG1 THR A 86 0.987 -8.895 5.278 1.00 14.33 H new ATOM 0 HG21 THR A 86 1.549 -5.584 6.085 1.00 42.52 H new ATOM 0 HG22 THR A 86 0.361 -4.871 4.968 1.00 42.52 H new ATOM 0 HG23 THR A 86 -0.190 -5.680 6.454 1.00 42.52 H new ATOM 1323 N LEU A 87 -0.624 -6.360 2.031 1.00 63.31 N ATOM 1324 CA LEU A 87 -0.767 -5.412 0.933 1.00 40.13 C ATOM 1325 C LEU A 87 -2.225 -5.298 0.498 1.00 43.15 C ATOM 1326 O LEU A 87 -2.741 -4.197 0.298 1.00 61.53 O ATOM 1327 CB LEU A 87 0.100 -5.839 -0.252 1.00 5.25 C ATOM 1328 CG LEU A 87 1.598 -5.571 -0.119 1.00 13.12 C ATOM 1329 CD1 LEU A 87 2.344 -6.092 -1.339 1.00 52.33 C ATOM 1330 CD2 LEU A 87 1.859 -4.085 0.073 1.00 55.20 C ATOM 0 H LEU A 87 -0.092 -7.198 1.797 1.00 63.31 H new ATOM 0 HA LEU A 87 -0.435 -4.435 1.284 1.00 40.13 H new ATOM 0 HB2 LEU A 87 -0.044 -6.907 -0.416 1.00 5.25 H new ATOM 0 HB3 LEU A 87 -0.262 -5.328 -1.144 1.00 5.25 H new ATOM 0 HG LEU A 87 1.966 -6.100 0.760 1.00 13.12 H new ATOM 0 HD11 LEU A 87 3.410 -5.892 -1.227 1.00 52.33 H new ATOM 0 HD12 LEU A 87 2.184 -7.166 -1.432 1.00 52.33 H new ATOM 0 HD13 LEU A 87 1.973 -5.591 -2.233 1.00 52.33 H new ATOM 0 HD21 LEU A 87 2.931 -3.913 0.166 1.00 55.20 H new ATOM 0 HD22 LEU A 87 1.476 -3.534 -0.786 1.00 55.20 H new ATOM 0 HD23 LEU A 87 1.357 -3.741 0.977 1.00 55.20 H new ATOM 1342 N LYS A 88 -2.885 -6.442 0.354 1.00 63.14 N ATOM 1343 CA LYS A 88 -4.284 -6.472 -0.054 1.00 25.01 C ATOM 1344 C LYS A 88 -5.167 -5.772 0.976 1.00 13.51 C ATOM 1345 O LYS A 88 -6.043 -4.982 0.623 1.00 53.02 O ATOM 1346 CB LYS A 88 -4.751 -7.917 -0.242 1.00 22.22 C ATOM 1347 CG LYS A 88 -3.915 -8.701 -1.240 1.00 41.22 C ATOM 1348 CD LYS A 88 -3.849 -10.174 -0.875 1.00 70.40 C ATOM 1349 CE LYS A 88 -4.375 -11.052 -2.001 1.00 44.54 C ATOM 1350 NZ LYS A 88 -3.590 -12.310 -2.137 1.00 52.31 N ATOM 0 H LYS A 88 -2.473 -7.361 0.514 1.00 63.14 H new ATOM 0 HA LYS A 88 -4.371 -5.942 -1.002 1.00 25.01 H new ATOM 0 HB2 LYS A 88 -4.725 -8.427 0.721 1.00 22.22 H new ATOM 0 HB3 LYS A 88 -5.789 -7.914 -0.573 1.00 22.22 H new ATOM 0 HG2 LYS A 88 -4.340 -8.591 -2.238 1.00 41.22 H new ATOM 0 HG3 LYS A 88 -2.907 -8.288 -1.275 1.00 41.22 H new ATOM 0 HD2 LYS A 88 -2.818 -10.448 -0.650 1.00 70.40 H new ATOM 0 HD3 LYS A 88 -4.431 -10.352 0.029 1.00 70.40 H new ATOM 0 HE2 LYS A 88 -5.421 -11.295 -1.813 1.00 44.54 H new ATOM 0 HE3 LYS A 88 -4.340 -10.499 -2.940 1.00 44.54 H new ATOM 0 HZ1 LYS A 88 -4.213 -13.074 -2.467 1.00 52.31 H new ATOM 0 HZ2 LYS A 88 -2.822 -12.168 -2.824 1.00 52.31 H new ATOM 0 HZ3 LYS A 88 -3.185 -12.568 -1.214 1.00 52.31 H new ATOM 1364 N VAL A 89 -4.929 -6.066 2.250 1.00 35.20 N ATOM 1365 CA VAL A 89 -5.700 -5.463 3.330 1.00 50.34 C ATOM 1366 C VAL A 89 -5.568 -3.945 3.319 1.00 54.41 C ATOM 1367 O VAL A 89 -6.564 -3.225 3.256 1.00 44.45 O ATOM 1368 CB VAL A 89 -5.252 -5.995 4.705 1.00 12.05 C ATOM 1369 CG1 VAL A 89 -6.041 -5.326 5.819 1.00 64.34 C ATOM 1370 CG2 VAL A 89 -5.405 -7.507 4.765 1.00 34.33 C ATOM 0 H VAL A 89 -4.208 -6.718 2.559 1.00 35.20 H new ATOM 0 HA VAL A 89 -6.742 -5.736 3.164 1.00 50.34 H new ATOM 0 HB VAL A 89 -4.198 -5.753 4.844 1.00 12.05 H new ATOM 0 HG11 VAL A 89 -5.711 -5.714 6.783 1.00 64.34 H new ATOM 0 HG12 VAL A 89 -5.876 -4.249 5.786 1.00 64.34 H new ATOM 0 HG13 VAL A 89 -7.103 -5.534 5.688 1.00 64.34 H new ATOM 0 HG21 VAL A 89 -5.084 -7.867 5.743 1.00 34.33 H new ATOM 0 HG22 VAL A 89 -6.450 -7.774 4.605 1.00 34.33 H new ATOM 0 HG23 VAL A 89 -4.791 -7.966 3.990 1.00 34.33 H new ATOM 1380 N PHE A 90 -4.331 -3.463 3.378 1.00 62.42 N ATOM 1381 CA PHE A 90 -4.067 -2.029 3.374 1.00 45.31 C ATOM 1382 C PHE A 90 -4.519 -1.396 2.061 1.00 40.34 C ATOM 1383 O PHE A 90 -4.904 -0.227 2.023 1.00 62.34 O ATOM 1384 CB PHE A 90 -2.577 -1.762 3.595 1.00 71.14 C ATOM 1385 CG PHE A 90 -2.192 -0.321 3.412 1.00 30.10 C ATOM 1386 CD1 PHE A 90 -2.165 0.546 4.492 1.00 63.13 C ATOM 1387 CD2 PHE A 90 -1.859 0.166 2.158 1.00 63.21 C ATOM 1388 CE1 PHE A 90 -1.811 1.871 4.327 1.00 52.22 C ATOM 1389 CE2 PHE A 90 -1.504 1.490 1.987 1.00 14.21 C ATOM 1390 CZ PHE A 90 -1.481 2.345 3.071 1.00 63.43 C ATOM 0 H PHE A 90 -3.495 -4.045 3.429 1.00 62.42 H new ATOM 0 HA PHE A 90 -4.634 -1.579 4.189 1.00 45.31 H new ATOM 0 HB2 PHE A 90 -2.305 -2.077 4.602 1.00 71.14 H new ATOM 0 HB3 PHE A 90 -2.000 -2.375 2.903 1.00 71.14 H new ATOM 0 HD1 PHE A 90 -2.424 0.182 5.475 1.00 63.13 H new ATOM 0 HD2 PHE A 90 -1.877 -0.497 1.305 1.00 63.21 H new ATOM 0 HE1 PHE A 90 -1.792 2.536 5.178 1.00 52.22 H new ATOM 0 HE2 PHE A 90 -1.244 1.857 1.005 1.00 14.21 H new ATOM 0 HZ PHE A 90 -1.206 3.381 2.938 1.00 63.43 H new ATOM 1400 N ALA A 91 -4.470 -2.177 0.987 1.00 74.30 N ATOM 1401 CA ALA A 91 -4.875 -1.694 -0.327 1.00 21.14 C ATOM 1402 C ALA A 91 -6.347 -1.298 -0.337 1.00 63.33 C ATOM 1403 O ALA A 91 -6.692 -0.158 -0.650 1.00 32.32 O ATOM 1404 CB ALA A 91 -4.605 -2.755 -1.384 1.00 14.02 C ATOM 0 H ALA A 91 -4.154 -3.147 1.001 1.00 74.30 H new ATOM 0 HA ALA A 91 -4.286 -0.807 -0.558 1.00 21.14 H new ATOM 0 HB1 ALA A 91 -4.912 -2.382 -2.361 1.00 14.02 H new ATOM 0 HB2 ALA A 91 -3.540 -2.987 -1.403 1.00 14.02 H new ATOM 0 HB3 ALA A 91 -5.169 -3.657 -1.147 1.00 14.02 H new ATOM 1410 N VAL A 92 -7.213 -2.246 0.009 1.00 13.55 N ATOM 1411 CA VAL A 92 -8.649 -1.995 0.040 1.00 62.23 C ATOM 1412 C VAL A 92 -9.028 -1.119 1.229 1.00 15.12 C ATOM 1413 O VAL A 92 -9.851 -0.213 1.107 1.00 40.54 O ATOM 1414 CB VAL A 92 -9.447 -3.311 0.111 1.00 70.24 C ATOM 1415 CG1 VAL A 92 -9.046 -4.112 1.341 1.00 21.44 C ATOM 1416 CG2 VAL A 92 -10.941 -3.028 0.114 1.00 52.42 C ATOM 0 H VAL A 92 -6.945 -3.194 0.272 1.00 13.55 H new ATOM 0 HA VAL A 92 -8.900 -1.476 -0.885 1.00 62.23 H new ATOM 0 HB VAL A 92 -9.215 -3.905 -0.773 1.00 70.24 H new ATOM 0 HG11 VAL A 92 -9.620 -5.038 1.375 1.00 21.44 H new ATOM 0 HG12 VAL A 92 -7.982 -4.345 1.292 1.00 21.44 H new ATOM 0 HG13 VAL A 92 -9.248 -3.527 2.238 1.00 21.44 H new ATOM 0 HG21 VAL A 92 -11.489 -3.969 0.164 1.00 52.42 H new ATOM 0 HG22 VAL A 92 -11.193 -2.414 0.979 1.00 52.42 H new ATOM 0 HG23 VAL A 92 -11.213 -2.498 -0.799 1.00 52.42 H new ATOM 1426 N ALA A 93 -8.421 -1.396 2.378 1.00 61.12 N ATOM 1427 CA ALA A 93 -8.692 -0.631 3.589 1.00 4.33 C ATOM 1428 C ALA A 93 -8.150 0.790 3.473 1.00 64.20 C ATOM 1429 O ALA A 93 -8.491 1.662 4.272 1.00 62.32 O ATOM 1430 CB ALA A 93 -8.093 -1.330 4.800 1.00 53.43 C ATOM 0 H ALA A 93 -7.738 -2.145 2.496 1.00 61.12 H new ATOM 0 HA ALA A 93 -9.773 -0.570 3.717 1.00 4.33 H new ATOM 0 HB1 ALA A 93 -8.303 -0.748 5.697 1.00 53.43 H new ATOM 0 HB2 ALA A 93 -8.532 -2.323 4.901 1.00 53.43 H new ATOM 0 HB3 ALA A 93 -7.015 -1.421 4.671 1.00 53.43 H new ATOM 1436 N GLY A 94 -7.304 1.016 2.474 1.00 15.51 N ATOM 1437 CA GLY A 94 -6.729 2.333 2.273 1.00 71.14 C ATOM 1438 C GLY A 94 -7.314 3.045 1.069 1.00 33.23 C ATOM 1439 O GLY A 94 -7.996 4.060 1.210 1.00 54.31 O ATOM 0 H GLY A 94 -7.006 0.311 1.800 1.00 15.51 H new ATOM 0 HA2 GLY A 94 -6.895 2.938 3.164 1.00 71.14 H new ATOM 0 HA3 GLY A 94 -5.650 2.239 2.147 1.00 71.14 H new ATOM 1443 N LEU A 95 -7.046 2.513 -0.118 1.00 33.34 N ATOM 1444 CA LEU A 95 -7.549 3.104 -1.353 1.00 62.23 C ATOM 1445 C LEU A 95 -9.074 3.143 -1.356 1.00 31.42 C ATOM 1446 O LEU A 95 -9.682 4.045 -1.934 1.00 13.30 O ATOM 1447 CB LEU A 95 -7.045 2.315 -2.562 1.00 33.41 C ATOM 1448 CG LEU A 95 -5.578 2.526 -2.937 1.00 13.12 C ATOM 1449 CD1 LEU A 95 -5.275 4.007 -3.098 1.00 70.02 C ATOM 1450 CD2 LEU A 95 -4.666 1.903 -1.891 1.00 75.33 C ATOM 0 H LEU A 95 -6.483 1.673 -0.252 1.00 33.34 H new ATOM 0 HA LEU A 95 -7.178 4.127 -1.415 1.00 62.23 H new ATOM 0 HB2 LEU A 95 -7.201 1.254 -2.369 1.00 33.41 H new ATOM 0 HB3 LEU A 95 -7.660 2.576 -3.423 1.00 33.41 H new ATOM 0 HG LEU A 95 -5.392 2.034 -3.892 1.00 13.12 H new ATOM 0 HD11 LEU A 95 -4.226 4.137 -3.365 1.00 70.02 H new ATOM 0 HD12 LEU A 95 -5.904 4.424 -3.885 1.00 70.02 H new ATOM 0 HD13 LEU A 95 -5.477 4.524 -2.160 1.00 70.02 H new ATOM 0 HD21 LEU A 95 -3.626 2.063 -2.174 1.00 75.33 H new ATOM 0 HD22 LEU A 95 -4.854 2.366 -0.922 1.00 75.33 H new ATOM 0 HD23 LEU A 95 -4.864 0.833 -1.826 1.00 75.33 H new ATOM 1462 N LEU A 96 -9.686 2.160 -0.705 1.00 10.45 N ATOM 1463 CA LEU A 96 -11.141 2.083 -0.631 1.00 23.25 C ATOM 1464 C LEU A 96 -11.636 2.460 0.762 1.00 14.34 C ATOM 1465 O LEU A 96 -12.839 2.496 1.014 1.00 50.14 O ATOM 1466 CB LEU A 96 -11.616 0.672 -0.987 1.00 55.32 C ATOM 1467 CG LEU A 96 -12.514 0.557 -2.218 1.00 14.44 C ATOM 1468 CD1 LEU A 96 -11.815 -0.225 -3.319 1.00 54.32 C ATOM 1469 CD2 LEU A 96 -13.837 -0.099 -1.854 1.00 44.50 C ATOM 0 H LEU A 96 -9.198 1.406 -0.221 1.00 10.45 H new ATOM 0 HA LEU A 96 -11.554 2.792 -1.349 1.00 23.25 H new ATOM 0 HB2 LEU A 96 -10.739 0.043 -1.142 1.00 55.32 H new ATOM 0 HB3 LEU A 96 -12.153 0.264 -0.131 1.00 55.32 H new ATOM 0 HG LEU A 96 -12.719 1.561 -2.588 1.00 14.44 H new ATOM 0 HD11 LEU A 96 -12.470 -0.296 -4.187 1.00 54.32 H new ATOM 0 HD12 LEU A 96 -10.894 0.286 -3.600 1.00 54.32 H new ATOM 0 HD13 LEU A 96 -11.578 -1.227 -2.960 1.00 54.32 H new ATOM 0 HD21 LEU A 96 -14.463 -0.172 -2.743 1.00 44.50 H new ATOM 0 HD22 LEU A 96 -13.651 -1.097 -1.458 1.00 44.50 H new ATOM 0 HD23 LEU A 96 -14.346 0.502 -1.100 1.00 44.50 H new ATOM 1481 N ASN A 97 -10.699 2.743 1.660 1.00 73.21 N ATOM 1482 CA ASN A 97 -11.040 3.121 3.027 1.00 21.13 C ATOM 1483 C ASN A 97 -12.007 2.116 3.644 1.00 21.33 C ATOM 1484 O ASN A 97 -12.830 2.468 4.488 1.00 61.35 O ATOM 1485 CB ASN A 97 -11.657 4.521 3.052 1.00 73.54 C ATOM 1486 CG ASN A 97 -11.288 5.292 4.306 1.00 14.50 C ATOM 1487 OD1 ASN A 97 -12.156 5.810 5.008 1.00 4.34 O ATOM 1488 ND2 ASN A 97 -9.993 5.372 4.591 1.00 11.52 N ATOM 0 H ASN A 97 -9.698 2.718 1.466 1.00 73.21 H new ATOM 0 HA ASN A 97 -10.123 3.125 3.616 1.00 21.13 H new ATOM 0 HB2 ASN A 97 -11.325 5.077 2.175 1.00 73.54 H new ATOM 0 HB3 ASN A 97 -12.742 4.439 2.985 1.00 73.54 H new ATOM 0 HD21 ASN A 97 -9.684 5.879 5.421 1.00 11.52 H new ATOM 0 HD22 ASN A 97 -9.308 4.927 3.980 1.00 11.52 H new ATOM 1495 N MET A 98 -11.901 0.862 3.216 1.00 70.11 N ATOM 1496 CA MET A 98 -12.766 -0.195 3.728 1.00 32.30 C ATOM 1497 C MET A 98 -12.005 -1.100 4.693 1.00 1.25 C ATOM 1498 O MET A 98 -11.405 -2.095 4.285 1.00 30.55 O ATOM 1499 CB MET A 98 -13.333 -1.024 2.573 1.00 50.52 C ATOM 1500 CG MET A 98 -14.534 -0.382 1.899 1.00 41.40 C ATOM 1501 SD MET A 98 -15.752 -1.594 1.350 1.00 52.03 S ATOM 1502 CE MET A 98 -17.054 -1.334 2.552 1.00 40.51 C ATOM 0 H MET A 98 -11.226 0.553 2.517 1.00 70.11 H new ATOM 0 HA MET A 98 -13.589 0.273 4.268 1.00 32.30 H new ATOM 0 HB2 MET A 98 -12.551 -1.181 1.831 1.00 50.52 H new ATOM 0 HB3 MET A 98 -13.619 -2.007 2.948 1.00 50.52 H new ATOM 0 HG2 MET A 98 -15.006 0.314 2.593 1.00 41.40 H new ATOM 0 HG3 MET A 98 -14.196 0.202 1.043 1.00 41.40 H new ATOM 0 HE1 MET A 98 -17.881 -2.013 2.345 1.00 40.51 H new ATOM 0 HE2 MET A 98 -16.669 -1.526 3.553 1.00 40.51 H new ATOM 0 HE3 MET A 98 -17.406 -0.304 2.490 1.00 40.51 H new ATOM 1512 N THR A 99 -12.034 -0.748 5.974 1.00 32.00 N ATOM 1513 CA THR A 99 -11.346 -1.528 6.996 1.00 14.21 C ATOM 1514 C THR A 99 -11.922 -2.936 7.093 1.00 72.22 C ATOM 1515 O THR A 99 -12.901 -3.169 7.802 1.00 31.31 O ATOM 1516 CB THR A 99 -11.440 -0.851 8.376 1.00 50.20 C ATOM 1517 OG1 THR A 99 -11.411 0.574 8.227 1.00 32.12 O ATOM 1518 CG2 THR A 99 -10.295 -1.294 9.275 1.00 61.12 C ATOM 0 H THR A 99 -12.526 0.072 6.329 1.00 32.00 H new ATOM 0 HA THR A 99 -10.299 -1.586 6.698 1.00 14.21 H new ATOM 0 HB THR A 99 -12.381 -1.149 8.838 1.00 50.20 H new ATOM 0 HG1 THR A 99 -12.279 0.948 8.486 1.00 32.12 H new ATOM 0 HG21 THR A 99 -10.382 -0.803 10.244 1.00 61.12 H new ATOM 0 HG22 THR A 99 -10.336 -2.375 9.411 1.00 61.12 H new ATOM 0 HG23 THR A 99 -9.345 -1.022 8.815 1.00 61.12 H new ATOM 1526 N VAL A 100 -11.307 -3.872 6.378 1.00 33.51 N ATOM 1527 CA VAL A 100 -11.757 -5.259 6.385 1.00 54.31 C ATOM 1528 C VAL A 100 -11.873 -5.791 7.809 1.00 1.43 C ATOM 1529 O VAL A 100 -11.458 -5.135 8.764 1.00 75.53 O ATOM 1530 CB VAL A 100 -10.799 -6.163 5.587 1.00 20.35 C ATOM 1531 CG1 VAL A 100 -10.643 -5.653 4.163 1.00 42.42 C ATOM 1532 CG2 VAL A 100 -9.448 -6.253 6.281 1.00 4.15 C ATOM 0 H VAL A 100 -10.495 -3.695 5.786 1.00 33.51 H new ATOM 0 HA VAL A 100 -12.739 -5.277 5.913 1.00 54.31 H new ATOM 0 HB VAL A 100 -11.227 -7.165 5.543 1.00 20.35 H new ATOM 0 HG11 VAL A 100 -9.962 -6.305 3.616 1.00 42.42 H new ATOM 0 HG12 VAL A 100 -11.615 -5.647 3.670 1.00 42.42 H new ATOM 0 HG13 VAL A 100 -10.239 -4.641 4.181 1.00 42.42 H new ATOM 0 HG21 VAL A 100 -8.784 -6.896 5.703 1.00 4.15 H new ATOM 0 HG22 VAL A 100 -9.012 -5.257 6.359 1.00 4.15 H new ATOM 0 HG23 VAL A 100 -9.579 -6.671 7.279 1.00 4.15 H new ATOM 1542 N SER A 101 -12.441 -6.985 7.944 1.00 52.10 N ATOM 1543 CA SER A 101 -12.616 -7.605 9.252 1.00 70.35 C ATOM 1544 C SER A 101 -11.374 -8.398 9.647 1.00 62.24 C ATOM 1545 O SER A 101 -10.931 -8.349 10.796 1.00 22.44 O ATOM 1546 CB SER A 101 -13.840 -8.523 9.246 1.00 31.45 C ATOM 1547 OG SER A 101 -15.040 -7.773 9.220 1.00 42.53 O ATOM 0 H SER A 101 -12.788 -7.542 7.163 1.00 52.10 H new ATOM 0 HA SER A 101 -12.769 -6.813 9.985 1.00 70.35 H new ATOM 0 HB2 SER A 101 -13.800 -9.181 8.378 1.00 31.45 H new ATOM 0 HB3 SER A 101 -13.825 -9.160 10.130 1.00 31.45 H new ATOM 0 HG SER A 101 -15.807 -8.383 9.215 1.00 42.53 H new ATOM 1553 N THR A 102 -10.814 -9.127 8.688 1.00 35.24 N ATOM 1554 CA THR A 102 -9.623 -9.931 8.934 1.00 63.53 C ATOM 1555 C THR A 102 -8.715 -9.960 7.710 1.00 4.51 C ATOM 1556 O THR A 102 -9.175 -9.788 6.582 1.00 14.04 O ATOM 1557 CB THR A 102 -9.992 -11.377 9.320 1.00 54.12 C ATOM 1558 OG1 THR A 102 -10.432 -12.095 8.163 1.00 43.52 O ATOM 1559 CG2 THR A 102 -11.083 -11.392 10.379 1.00 24.55 C ATOM 0 H THR A 102 -11.166 -9.178 7.732 1.00 35.24 H new ATOM 0 HA THR A 102 -9.093 -9.464 9.764 1.00 63.53 H new ATOM 0 HB THR A 102 -9.104 -11.859 9.730 1.00 54.12 H new ATOM 0 HG1 THR A 102 -11.191 -12.667 8.402 1.00 43.52 H new ATOM 0 HG21 THR A 102 -11.327 -12.423 10.636 1.00 24.55 H new ATOM 0 HG22 THR A 102 -10.733 -10.870 11.269 1.00 24.55 H new ATOM 0 HG23 THR A 102 -11.972 -10.894 9.992 1.00 24.55 H new ATOM 1567 N ALA A 103 -7.426 -10.178 7.941 1.00 75.40 N ATOM 1568 CA ALA A 103 -6.453 -10.231 6.856 1.00 2.11 C ATOM 1569 C ALA A 103 -6.897 -11.205 5.769 1.00 42.31 C ATOM 1570 O ALA A 103 -6.734 -10.936 4.579 1.00 25.42 O ATOM 1571 CB ALA A 103 -5.085 -10.624 7.392 1.00 10.10 C ATOM 0 H ALA A 103 -7.030 -10.321 8.870 1.00 75.40 H new ATOM 0 HA ALA A 103 -6.385 -9.238 6.413 1.00 2.11 H new ATOM 0 HB1 ALA A 103 -4.369 -10.660 6.571 1.00 10.10 H new ATOM 0 HB2 ALA A 103 -4.758 -9.889 8.127 1.00 10.10 H new ATOM 0 HB3 ALA A 103 -5.147 -11.605 7.862 1.00 10.10 H new ATOM 1577 N ALA A 104 -7.458 -12.335 6.186 1.00 64.13 N ATOM 1578 CA ALA A 104 -7.927 -13.348 5.248 1.00 52.45 C ATOM 1579 C ALA A 104 -9.078 -12.818 4.400 1.00 22.12 C ATOM 1580 O ALA A 104 -9.136 -13.060 3.195 1.00 21.53 O ATOM 1581 CB ALA A 104 -8.352 -14.602 5.995 1.00 22.52 C ATOM 0 H ALA A 104 -7.599 -12.572 7.168 1.00 64.13 H new ATOM 0 HA ALA A 104 -7.103 -13.599 4.580 1.00 52.45 H new ATOM 0 HB1 ALA A 104 -8.700 -15.350 5.282 1.00 22.52 H new ATOM 0 HB2 ALA A 104 -7.503 -14.999 6.552 1.00 22.52 H new ATOM 0 HB3 ALA A 104 -9.158 -14.358 6.687 1.00 22.52 H new ATOM 1587 N ALA A 105 -9.994 -12.097 5.038 1.00 14.11 N ATOM 1588 CA ALA A 105 -11.144 -11.533 4.341 1.00 75.53 C ATOM 1589 C ALA A 105 -10.702 -10.607 3.213 1.00 1.43 C ATOM 1590 O ALA A 105 -11.287 -10.610 2.130 1.00 75.43 O ATOM 1591 CB ALA A 105 -12.040 -10.787 5.319 1.00 52.21 C ATOM 0 H ALA A 105 -9.962 -11.890 6.036 1.00 14.11 H new ATOM 0 HA ALA A 105 -11.710 -12.354 3.901 1.00 75.53 H new ATOM 0 HB1 ALA A 105 -12.894 -10.371 4.785 1.00 52.21 H new ATOM 0 HB2 ALA A 105 -12.392 -11.475 6.087 1.00 52.21 H new ATOM 0 HB3 ALA A 105 -11.476 -9.980 5.786 1.00 52.21 H new ATOM 1597 N ALA A 106 -9.668 -9.814 3.475 1.00 42.11 N ATOM 1598 CA ALA A 106 -9.148 -8.884 2.480 1.00 51.13 C ATOM 1599 C ALA A 106 -8.579 -9.628 1.278 1.00 14.24 C ATOM 1600 O ALA A 106 -8.949 -9.354 0.136 1.00 31.32 O ATOM 1601 CB ALA A 106 -8.085 -7.989 3.101 1.00 22.24 C ATOM 0 H ALA A 106 -9.174 -9.797 4.367 1.00 42.11 H new ATOM 0 HA ALA A 106 -9.973 -8.263 2.132 1.00 51.13 H new ATOM 0 HB1 ALA A 106 -7.705 -7.299 2.348 1.00 22.24 H new ATOM 0 HB2 ALA A 106 -8.521 -7.423 3.924 1.00 22.24 H new ATOM 0 HB3 ALA A 106 -7.267 -8.603 3.477 1.00 22.24 H new ATOM 1607 N GLU A 107 -7.678 -10.569 1.540 1.00 5.11 N ATOM 1608 CA GLU A 107 -7.058 -11.351 0.477 1.00 72.14 C ATOM 1609 C GLU A 107 -8.114 -12.080 -0.349 1.00 52.41 C ATOM 1610 O GLU A 107 -7.998 -12.187 -1.570 1.00 72.53 O ATOM 1611 CB GLU A 107 -6.070 -12.360 1.066 1.00 13.14 C ATOM 1612 CG GLU A 107 -5.535 -13.353 0.048 1.00 14.42 C ATOM 1613 CD GLU A 107 -6.003 -14.771 0.314 1.00 54.02 C ATOM 1614 OE1 GLU A 107 -7.050 -15.164 -0.240 1.00 14.12 O ATOM 1615 OE2 GLU A 107 -5.321 -15.487 1.078 1.00 21.04 O ATOM 0 H GLU A 107 -7.361 -10.808 2.479 1.00 5.11 H new ATOM 0 HA GLU A 107 -6.520 -10.665 -0.177 1.00 72.14 H new ATOM 0 HB2 GLU A 107 -5.233 -11.820 1.509 1.00 13.14 H new ATOM 0 HB3 GLU A 107 -6.559 -12.907 1.872 1.00 13.14 H new ATOM 0 HG2 GLU A 107 -5.852 -13.051 -0.950 1.00 14.42 H new ATOM 0 HG3 GLU A 107 -4.445 -13.326 0.058 1.00 14.42 H new ATOM 1622 N ASN A 108 -9.145 -12.578 0.325 1.00 71.03 N ATOM 1623 CA ASN A 108 -10.221 -13.298 -0.345 1.00 50.32 C ATOM 1624 C ASN A 108 -10.973 -12.381 -1.305 1.00 72.10 C ATOM 1625 O ASN A 108 -11.203 -12.732 -2.462 1.00 44.21 O ATOM 1626 CB ASN A 108 -11.191 -13.882 0.684 1.00 40.14 C ATOM 1627 CG ASN A 108 -11.701 -15.253 0.285 1.00 1.02 C ATOM 1628 OD1 ASN A 108 -11.189 -16.275 0.740 1.00 32.55 O ATOM 1629 ND2 ASN A 108 -12.717 -15.280 -0.571 1.00 23.12 N ATOM 0 H ASN A 108 -9.258 -12.496 1.335 1.00 71.03 H new ATOM 0 HA ASN A 108 -9.777 -14.112 -0.919 1.00 50.32 H new ATOM 0 HB2 ASN A 108 -10.693 -13.950 1.651 1.00 40.14 H new ATOM 0 HB3 ASN A 108 -12.036 -13.205 0.808 1.00 40.14 H new ATOM 0 HD21 ASN A 108 -13.103 -16.173 -0.876 1.00 23.12 H new ATOM 0 HD22 ASN A 108 -13.111 -14.407 -0.923 1.00 23.12 H new ATOM 1636 N MET A 109 -11.351 -11.204 -0.816 1.00 13.35 N ATOM 1637 CA MET A 109 -12.074 -10.235 -1.633 1.00 25.13 C ATOM 1638 C MET A 109 -11.188 -9.694 -2.749 1.00 51.13 C ATOM 1639 O MET A 109 -11.647 -9.481 -3.871 1.00 54.04 O ATOM 1640 CB MET A 109 -12.582 -9.082 -0.764 1.00 64.32 C ATOM 1641 CG MET A 109 -14.036 -9.231 -0.345 1.00 70.31 C ATOM 1642 SD MET A 109 -15.095 -7.952 -1.048 1.00 25.24 S ATOM 1643 CE MET A 109 -15.626 -7.100 0.434 1.00 71.13 C ATOM 0 H MET A 109 -11.169 -10.898 0.140 1.00 13.35 H new ATOM 0 HA MET A 109 -12.926 -10.743 -2.085 1.00 25.13 H new ATOM 0 HB2 MET A 109 -11.961 -9.010 0.129 1.00 64.32 H new ATOM 0 HB3 MET A 109 -12.464 -8.147 -1.311 1.00 64.32 H new ATOM 0 HG2 MET A 109 -14.401 -10.210 -0.655 1.00 70.31 H new ATOM 0 HG3 MET A 109 -14.102 -9.195 0.742 1.00 70.31 H new ATOM 0 HE1 MET A 109 -16.290 -6.279 0.164 1.00 71.13 H new ATOM 0 HE2 MET A 109 -16.156 -7.796 1.084 1.00 71.13 H new ATOM 0 HE3 MET A 109 -14.756 -6.705 0.958 1.00 71.13 H new ATOM 1653 N TYR A 110 -9.916 -9.473 -2.433 1.00 1.43 N ATOM 1654 CA TYR A 110 -8.965 -8.954 -3.410 1.00 42.31 C ATOM 1655 C TYR A 110 -8.918 -9.842 -4.650 1.00 62.33 C ATOM 1656 O TYR A 110 -8.972 -9.355 -5.778 1.00 73.12 O ATOM 1657 CB TYR A 110 -7.571 -8.849 -2.790 1.00 62.22 C ATOM 1658 CG TYR A 110 -6.859 -7.555 -3.113 1.00 45.32 C ATOM 1659 CD1 TYR A 110 -5.871 -7.508 -4.088 1.00 61.45 C ATOM 1660 CD2 TYR A 110 -7.176 -6.379 -2.444 1.00 63.45 C ATOM 1661 CE1 TYR A 110 -5.217 -6.328 -4.387 1.00 44.41 C ATOM 1662 CE2 TYR A 110 -6.530 -5.195 -2.737 1.00 72.22 C ATOM 1663 CZ TYR A 110 -5.550 -5.174 -3.709 1.00 24.41 C ATOM 1664 OH TYR A 110 -4.903 -3.996 -4.003 1.00 22.20 O ATOM 0 H TYR A 110 -9.520 -9.645 -1.509 1.00 1.43 H new ATOM 0 HA TYR A 110 -9.297 -7.960 -3.710 1.00 42.31 H new ATOM 0 HB2 TYR A 110 -7.656 -8.946 -1.708 1.00 62.22 H new ATOM 0 HB3 TYR A 110 -6.964 -9.684 -3.139 1.00 62.22 H new ATOM 0 HD1 TYR A 110 -5.609 -8.410 -4.622 1.00 61.45 H new ATOM 0 HD2 TYR A 110 -7.941 -6.392 -1.682 1.00 63.45 H new ATOM 0 HE1 TYR A 110 -4.450 -6.310 -5.147 1.00 44.41 H new ATOM 0 HE2 TYR A 110 -6.790 -4.290 -2.209 1.00 72.22 H new ATOM 0 HH TYR A 110 -4.424 -4.089 -4.853 1.00 22.20 H new ATOM 1674 N SER A 111 -8.816 -11.149 -4.429 1.00 1.50 N ATOM 1675 CA SER A 111 -8.758 -12.107 -5.527 1.00 12.44 C ATOM 1676 C SER A 111 -10.152 -12.380 -6.086 1.00 40.34 C ATOM 1677 O SER A 111 -10.330 -12.520 -7.295 1.00 60.13 O ATOM 1678 CB SER A 111 -8.120 -13.415 -5.058 1.00 74.23 C ATOM 1679 OG SER A 111 -8.227 -14.420 -6.050 1.00 14.23 O ATOM 0 H SER A 111 -8.772 -11.568 -3.500 1.00 1.50 H new ATOM 0 HA SER A 111 -8.146 -11.676 -6.319 1.00 12.44 H new ATOM 0 HB2 SER A 111 -7.070 -13.246 -4.819 1.00 74.23 H new ATOM 0 HB3 SER A 111 -8.605 -13.751 -4.142 1.00 74.23 H new ATOM 0 HG SER A 111 -7.577 -14.247 -6.763 1.00 14.23 H new ATOM 1685 N GLN A 112 -11.135 -12.453 -5.195 1.00 44.24 N ATOM 1686 CA GLN A 112 -12.512 -12.709 -5.597 1.00 51.40 C ATOM 1687 C GLN A 112 -13.020 -11.614 -6.530 1.00 41.13 C ATOM 1688 O GLN A 112 -13.815 -11.874 -7.432 1.00 11.13 O ATOM 1689 CB GLN A 112 -13.417 -12.805 -4.367 1.00 72.52 C ATOM 1690 CG GLN A 112 -14.890 -12.960 -4.705 1.00 24.42 C ATOM 1691 CD GLN A 112 -15.658 -13.713 -3.636 1.00 32.44 C ATOM 1692 OE1 GLN A 112 -15.687 -14.944 -3.628 1.00 24.31 O ATOM 1693 NE2 GLN A 112 -16.285 -12.976 -2.728 1.00 61.42 N ATOM 0 H GLN A 112 -11.003 -12.338 -4.190 1.00 44.24 H new ATOM 0 HA GLN A 112 -12.535 -13.658 -6.132 1.00 51.40 H new ATOM 0 HB2 GLN A 112 -13.101 -13.653 -3.760 1.00 72.52 H new ATOM 0 HB3 GLN A 112 -13.285 -11.910 -3.759 1.00 72.52 H new ATOM 0 HG2 GLN A 112 -15.334 -11.974 -4.839 1.00 24.42 H new ATOM 0 HG3 GLN A 112 -14.988 -13.485 -5.655 1.00 24.42 H new ATOM 0 HE21 GLN A 112 -16.234 -11.958 -2.773 1.00 61.42 H new ATOM 0 HE22 GLN A 112 -16.818 -13.427 -1.985 1.00 61.42 H new ATOM 1702 N MET A 113 -12.555 -10.390 -6.306 1.00 54.22 N ATOM 1703 CA MET A 113 -12.960 -9.256 -7.128 1.00 3.32 C ATOM 1704 C MET A 113 -12.258 -9.286 -8.481 1.00 55.11 C ATOM 1705 O MET A 113 -12.739 -8.706 -9.454 1.00 10.22 O ATOM 1706 CB MET A 113 -12.652 -7.941 -6.409 1.00 30.35 C ATOM 1707 CG MET A 113 -13.576 -6.801 -6.805 1.00 13.11 C ATOM 1708 SD MET A 113 -14.152 -5.849 -5.386 1.00 72.30 S ATOM 1709 CE MET A 113 -12.613 -5.140 -4.807 1.00 63.44 C ATOM 0 H MET A 113 -11.897 -10.158 -5.562 1.00 54.22 H new ATOM 0 HA MET A 113 -14.035 -9.327 -7.295 1.00 3.32 H new ATOM 0 HB2 MET A 113 -12.724 -8.099 -5.333 1.00 30.35 H new ATOM 0 HB3 MET A 113 -11.622 -7.653 -6.621 1.00 30.35 H new ATOM 0 HG2 MET A 113 -13.054 -6.138 -7.495 1.00 13.11 H new ATOM 0 HG3 MET A 113 -14.436 -7.204 -7.340 1.00 13.11 H new ATOM 0 HE1 MET A 113 -12.823 -4.375 -4.060 1.00 63.44 H new ATOM 0 HE2 MET A 113 -11.997 -5.922 -4.363 1.00 63.44 H new ATOM 0 HE3 MET A 113 -12.081 -4.691 -5.646 1.00 63.44 H new ATOM 1719 N GLY A 114 -11.117 -9.966 -8.536 1.00 34.14 N ATOM 1720 CA GLY A 114 -10.366 -10.058 -9.775 1.00 3.42 C ATOM 1721 C GLY A 114 -9.089 -9.242 -9.742 1.00 44.43 C ATOM 1722 O GLY A 114 -8.548 -8.880 -10.788 1.00 43.22 O ATOM 0 H GLY A 114 -10.699 -10.455 -7.745 1.00 34.14 H new ATOM 0 HA2 GLY A 114 -10.121 -11.102 -9.971 1.00 3.42 H new ATOM 0 HA3 GLY A 114 -10.990 -9.717 -10.601 1.00 3.42 H new ATOM 1726 N LEU A 115 -8.608 -8.947 -8.539 1.00 25.44 N ATOM 1727 CA LEU A 115 -7.388 -8.166 -8.374 1.00 40.54 C ATOM 1728 C LEU A 115 -6.171 -9.077 -8.244 1.00 10.32 C ATOM 1729 O LEU A 115 -5.179 -8.908 -8.953 1.00 71.43 O ATOM 1730 CB LEU A 115 -7.498 -7.266 -7.142 1.00 65.13 C ATOM 1731 CG LEU A 115 -8.875 -6.656 -6.877 1.00 11.33 C ATOM 1732 CD1 LEU A 115 -8.914 -6.001 -5.505 1.00 4.43 C ATOM 1733 CD2 LEU A 115 -9.230 -5.648 -7.962 1.00 62.51 C ATOM 0 H LEU A 115 -9.045 -9.237 -7.664 1.00 25.44 H new ATOM 0 HA LEU A 115 -7.261 -7.545 -9.261 1.00 40.54 H new ATOM 0 HB2 LEU A 115 -7.205 -7.845 -6.266 1.00 65.13 H new ATOM 0 HB3 LEU A 115 -6.777 -6.455 -7.244 1.00 65.13 H new ATOM 0 HG LEU A 115 -9.615 -7.456 -6.896 1.00 11.33 H new ATOM 0 HD11 LEU A 115 -9.902 -5.573 -5.334 1.00 4.43 H new ATOM 0 HD12 LEU A 115 -8.705 -6.748 -4.739 1.00 4.43 H new ATOM 0 HD13 LEU A 115 -8.163 -5.212 -5.457 1.00 4.43 H new ATOM 0 HD21 LEU A 115 -10.213 -5.224 -7.757 1.00 62.51 H new ATOM 0 HD22 LEU A 115 -8.487 -4.851 -7.975 1.00 62.51 H new ATOM 0 HD23 LEU A 115 -9.245 -6.147 -8.931 1.00 62.51 H new ATOM 1745 N ASP A 116 -6.256 -10.044 -7.338 1.00 63.14 N ATOM 1746 CA ASP A 116 -5.164 -10.985 -7.118 1.00 34.11 C ATOM 1747 C ASP A 116 -5.395 -12.276 -7.896 1.00 62.44 C ATOM 1748 O ASP A 116 -6.201 -13.119 -7.498 1.00 52.04 O ATOM 1749 CB ASP A 116 -5.019 -11.291 -5.627 1.00 23.53 C ATOM 1750 CG ASP A 116 -4.198 -12.541 -5.370 1.00 42.55 C ATOM 1751 OD1 ASP A 116 -3.106 -12.665 -5.961 1.00 52.13 O ATOM 1752 OD2 ASP A 116 -4.650 -13.392 -4.577 1.00 60.40 O ATOM 0 H ASP A 116 -7.070 -10.197 -6.743 1.00 63.14 H new ATOM 0 HA ASP A 116 -4.243 -10.526 -7.477 1.00 34.11 H new ATOM 0 HB2 ASP A 116 -4.550 -10.443 -5.129 1.00 23.53 H new ATOM 0 HB3 ASP A 116 -6.008 -11.412 -5.186 1.00 23.53 H new ATOM 1757 N THR A 117 -4.682 -12.427 -9.008 1.00 24.23 N ATOM 1758 CA THR A 117 -4.810 -13.615 -9.843 1.00 42.25 C ATOM 1759 C THR A 117 -4.204 -14.836 -9.159 1.00 53.41 C ATOM 1760 O THR A 117 -3.188 -14.732 -8.472 1.00 61.31 O ATOM 1761 CB THR A 117 -4.131 -13.416 -11.211 1.00 1.01 C ATOM 1762 OG1 THR A 117 -4.239 -12.047 -11.617 1.00 2.25 O ATOM 1763 CG2 THR A 117 -4.762 -14.315 -12.264 1.00 12.03 C ATOM 0 H THR A 117 -4.010 -11.741 -9.351 1.00 24.23 H new ATOM 0 HA THR A 117 -5.876 -13.780 -9.996 1.00 42.25 H new ATOM 0 HB THR A 117 -3.079 -13.683 -11.112 1.00 1.01 H new ATOM 0 HG1 THR A 117 -3.410 -11.574 -11.396 1.00 2.25 H new ATOM 0 HG21 THR A 117 -4.266 -14.157 -13.222 1.00 12.03 H new ATOM 0 HG22 THR A 117 -4.652 -15.358 -11.966 1.00 12.03 H new ATOM 0 HG23 THR A 117 -5.821 -14.075 -12.360 1.00 12.03 H new ATOM 1771 N ARG A 118 -4.832 -15.990 -9.354 1.00 20.42 N ATOM 1772 CA ARG A 118 -4.353 -17.231 -8.756 1.00 41.53 C ATOM 1773 C ARG A 118 -3.068 -17.699 -9.432 1.00 24.00 C ATOM 1774 O ARG A 118 -2.742 -17.296 -10.548 1.00 35.31 O ATOM 1775 CB ARG A 118 -5.425 -18.318 -8.861 1.00 34.42 C ATOM 1776 CG ARG A 118 -6.225 -18.511 -7.584 1.00 70.22 C ATOM 1777 CD ARG A 118 -7.361 -17.505 -7.482 1.00 23.11 C ATOM 1778 NE ARG A 118 -8.302 -17.847 -6.418 1.00 73.43 N ATOM 1779 CZ ARG A 118 -8.069 -17.619 -5.130 1.00 33.43 C ATOM 1780 NH1 ARG A 118 -6.933 -17.052 -4.748 1.00 13.54 N ATOM 1781 NH2 ARG A 118 -8.973 -17.960 -4.221 1.00 45.31 N ATOM 0 H ARG A 118 -5.674 -16.092 -9.921 1.00 20.42 H new ATOM 0 HA ARG A 118 -4.140 -17.041 -7.704 1.00 41.53 H new ATOM 0 HB2 ARG A 118 -6.108 -18.066 -9.672 1.00 34.42 H new ATOM 0 HB3 ARG A 118 -4.949 -19.262 -9.127 1.00 34.42 H new ATOM 0 HG2 ARG A 118 -6.630 -19.523 -7.556 1.00 70.22 H new ATOM 0 HG3 ARG A 118 -5.567 -18.407 -6.721 1.00 70.22 H new ATOM 0 HD2 ARG A 118 -6.950 -16.512 -7.297 1.00 23.11 H new ATOM 0 HD3 ARG A 118 -7.891 -17.459 -8.433 1.00 23.11 H new ATOM 0 HE ARG A 118 -9.186 -18.285 -6.678 1.00 73.43 H new ATOM 0 HH11 ARG A 118 -6.235 -16.789 -5.444 1.00 13.54 H new ATOM 0 HH12 ARG A 118 -6.757 -16.878 -3.758 1.00 13.54 H new ATOM 0 HH21 ARG A 118 -9.848 -18.398 -4.511 1.00 45.31 H new ATOM 0 HH22 ARG A 118 -8.793 -17.785 -3.232 1.00 45.31 H new ATOM 1795 N PRO A 119 -2.321 -18.573 -8.740 1.00 54.43 N ATOM 1796 CA PRO A 119 -1.059 -19.115 -9.253 1.00 11.13 C ATOM 1797 C PRO A 119 -1.273 -20.072 -10.420 1.00 31.44 C ATOM 1798 O PRO A 119 -2.389 -20.533 -10.662 1.00 51.32 O ATOM 1799 CB PRO A 119 -0.477 -19.860 -8.050 1.00 64.34 C ATOM 1800 CG PRO A 119 -1.660 -20.214 -7.215 1.00 52.43 C ATOM 1801 CD PRO A 119 -2.649 -19.096 -7.404 1.00 24.23 C ATOM 0 HA PRO A 119 -0.407 -18.333 -9.642 1.00 11.13 H new ATOM 0 HB2 PRO A 119 0.068 -20.751 -8.362 1.00 64.34 H new ATOM 0 HB3 PRO A 119 0.224 -19.234 -7.498 1.00 64.34 H new ATOM 0 HG2 PRO A 119 -2.086 -21.168 -7.526 1.00 52.43 H new ATOM 0 HG3 PRO A 119 -1.381 -20.315 -6.166 1.00 52.43 H new ATOM 0 HD2 PRO A 119 -3.677 -19.456 -7.355 1.00 24.23 H new ATOM 0 HD3 PRO A 119 -2.542 -18.331 -6.635 1.00 24.23 H new TER 1809 PRO A 119 HETATM 1810 C1 MYR A 201 2.347 14.124 -0.375 1.00 52.41 C HETATM 1811 O1 MYR A 201 1.198 14.442 -0.676 1.00 3.35 O HETATM 1812 C2 MYR A 201 2.786 12.678 -0.609 1.00 64.44 C HETATM 1813 C3 MYR A 201 3.798 12.138 0.429 1.00 41.43 C HETATM 1814 C4 MYR A 201 3.968 10.611 0.333 1.00 4.12 C HETATM 1815 C5 MYR A 201 3.076 9.861 1.341 1.00 51.41 C HETATM 1816 C6 MYR A 201 3.878 8.869 2.204 1.00 11.33 C HETATM 1817 C7 MYR A 201 3.223 7.476 2.249 1.00 24.54 C HETATM 1818 C8 MYR A 201 3.671 6.582 1.077 1.00 42.32 C HETATM 1819 C9 MYR A 201 2.567 5.602 0.637 1.00 72.34 C HETATM 1820 C10 MYR A 201 3.027 4.131 0.715 1.00 70.30 C HETATM 1821 C11 MYR A 201 1.898 3.101 0.502 1.00 71.23 C HETATM 1822 C12 MYR A 201 2.289 1.906 -0.393 1.00 0.41 C HETATM 1823 C13 MYR A 201 1.438 0.657 -0.101 1.00 33.10 C HETATM 1824 C14 MYR A 201 2.266 -0.454 0.561 1.00 14.12 C HETATM 0 H143 MYR A 201 3.082 -0.743 -0.101 1.00 14.12 H new HETATM 0 H142 MYR A 201 2.675 -0.090 1.504 1.00 14.12 H new HETATM 0 H141 MYR A 201 1.629 -1.318 0.751 1.00 14.12 H new HETATM 0 H132 MYR A 201 0.606 0.928 0.550 1.00 33.10 H new HETATM 0 H131 MYR A 201 1.007 0.285 -1.031 1.00 33.10 H new HETATM 0 H122 MYR A 201 2.173 2.186 -1.440 1.00 0.41 H new HETATM 0 H121 MYR A 201 3.342 1.670 -0.241 1.00 0.41 H new HETATM 0 H112 MYR A 201 1.579 2.723 1.473 1.00 71.23 H new HETATM 0 H111 MYR A 201 1.040 3.606 0.059 1.00 71.23 H new HETATM 0 H102 MYR A 201 3.801 3.964 -0.034 1.00 70.30 H new HETATM 0 H101 MYR A 201 3.483 3.956 1.689 1.00 70.30 H new HETATM 0 H92 MYR A 201 1.689 5.740 1.268 1.00 72.34 H new HETATM 0 H91 MYR A 201 2.265 5.833 -0.385 1.00 72.34 H new HETATM 0 H82 MYR A 201 3.955 7.209 0.232 1.00 42.32 H new HETATM 0 H81 MYR A 201 4.558 6.020 1.370 1.00 42.32 H new HETATM 0 H72 MYR A 201 3.474 6.989 3.191 1.00 24.54 H new HETATM 0 H71 MYR A 201 2.139 7.586 2.226 1.00 24.54 H new HETATM 0 H62 MYR A 201 4.890 8.780 1.808 1.00 11.33 H new HETATM 0 H61 MYR A 201 3.966 9.260 3.218 1.00 11.33 H new HETATM 0 H52 MYR A 201 2.577 10.582 1.989 1.00 51.41 H new HETATM 0 H51 MYR A 201 2.296 9.323 0.803 1.00 51.41 H new HETATM 0 H42 MYR A 201 3.726 10.283 -0.678 1.00 4.12 H new HETATM 0 H41 MYR A 201 5.012 10.352 0.511 1.00 4.12 H new HETATM 0 H32 MYR A 201 4.764 12.620 0.277 1.00 41.43 H new HETATM 0 H31 MYR A 201 3.464 12.403 1.432 1.00 41.43 H new HETATM 0 H22 MYR A 201 1.903 12.038 -0.604 1.00 64.44 H new HETATM 0 H21 MYR A 201 3.228 12.602 -1.602 1.00 64.44 H new