USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 983 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 115 GLN :FLIP amide:sc= -11.9! C(o=-12!,f=-10!) USER MOD Set 1.3: A 117 TYR OH : rot 60:sc= 1.47 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= -0.647 USER MOD Set 2.2: A 57 ASN : amide:sc= -0.0956 K(o=-0.74,f=-2.1) USER MOD Set 3.1: A 37 LYS NZ :NH3+ 153:sc= -0.99 (180deg=-1.22) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -94:sc= -5.6! USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= -0.608 (180deg=-0.664) USER MOD Single : A 11 ASN : amide:sc= -0.716 K(o=-0.72,f=-2.6!) USER MOD Single : A 13 ASN : amide:sc= 0.678 K(o=0.68,f=-1.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -170:sc= -0.672 (180deg=-0.913) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -129:sc= -10.3! (180deg=-10.7!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 67:sc= -4.98! USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0893 USER MOD Single : A 42 GLN : amide:sc= 0.169 K(o=0.17,f=-1.4) USER MOD Single : A 45 ASN : amide:sc= -0.0376 K(o=-0.038,f=-0.73) USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.317) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 62:sc= 0.986 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -160:sc= -0.0874 USER MOD Single : A 76 THR OG1 : rot -36:sc= 0.704 USER MOD Single : A 79 THR OG1 : rot -56:sc= -2.16! USER MOD Single : A 81 THR OG1 : rot -78:sc= 1.15 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -167:sc= -0.0482 (180deg=-0.309) USER MOD Single : A 87 ASN : amide:sc= -0.0447 K(o=-0.045,f=-1.5!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.386 K(o=-0.39,f=-2.3) USER MOD Single : A 100 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0668) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.785 K(o=-0.78,f=-2.8!) USER MOD Single : A 116 THR OG1 : rot -52:sc= 1.13 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.344 USER MOD Single : A 119 TYR OH : rot -98:sc= -0.891 USER MOD Single : A 125 LYS NZ :NH3+ -112:sc= -1.91! (180deg=-3.11!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.348 7.888 4.081 1.00 0.00 N ATOM 2 CA ALA A 1 3.885 8.976 4.843 1.00 0.00 C ATOM 3 C ALA A 1 5.306 9.256 4.315 1.00 0.00 C ATOM 4 O ALA A 1 5.434 10.252 3.645 1.00 0.00 O ATOM 5 CB ALA A 1 3.925 8.478 6.268 1.00 0.00 C ATOM 0 H1 ALA A 1 2.386 7.673 4.413 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.316 8.151 3.075 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.951 7.049 4.201 1.00 0.00 H new ATOM 0 HA ALA A 1 3.304 9.896 4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.326 9.258 6.915 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.917 8.221 6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.561 7.595 6.327 1.00 0.00 H new ATOM 13 N PHE A 2 6.339 8.406 4.613 1.00 0.00 N ATOM 14 CA PHE A 2 7.675 8.740 4.080 1.00 0.00 C ATOM 15 C PHE A 2 7.938 8.344 2.602 1.00 0.00 C ATOM 16 O PHE A 2 8.208 7.196 2.283 1.00 0.00 O ATOM 17 CB PHE A 2 8.914 8.262 4.905 1.00 0.00 C ATOM 18 CG PHE A 2 8.568 7.267 5.985 1.00 0.00 C ATOM 19 CD1 PHE A 2 8.492 5.915 5.643 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.331 7.668 7.281 1.00 0.00 C ATOM 21 CE1 PHE A 2 8.177 4.950 6.581 1.00 0.00 C ATOM 22 CE2 PHE A 2 8.017 6.695 8.219 1.00 0.00 C ATOM 23 CZ PHE A 2 7.935 5.337 7.880 1.00 0.00 C ATOM 0 H PHE A 2 6.274 7.556 5.173 1.00 0.00 H new ATOM 0 HA PHE A 2 7.596 9.824 4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.641 7.814 4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.394 9.128 5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 2 8.684 5.617 4.623 1.00 0.00 H new ATOM 0 HD2 PHE A 2 8.388 8.710 7.559 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.122 3.909 6.299 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.830 6.992 9.240 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.684 4.602 8.630 1.00 0.00 H new ATOM 33 N ASP A 3 7.849 9.351 1.751 1.00 0.00 N ATOM 34 CA ASP A 3 8.060 9.312 0.283 1.00 0.00 C ATOM 35 C ASP A 3 8.728 10.597 -0.143 1.00 0.00 C ATOM 36 O ASP A 3 8.502 11.582 0.589 1.00 0.00 O ATOM 37 CB ASP A 3 6.769 9.086 -0.520 1.00 0.00 C ATOM 38 CG ASP A 3 5.818 10.195 -0.166 1.00 0.00 C ATOM 39 OD1 ASP A 3 5.159 10.250 0.878 1.00 0.00 O ATOM 40 OD2 ASP A 3 5.729 11.132 -1.071 1.00 0.00 O ATOM 0 H ASP A 3 7.612 10.290 2.072 1.00 0.00 H new ATOM 0 HA ASP A 3 8.695 8.453 0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.978 9.087 -1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.333 8.116 -0.281 1.00 0.00 H new ATOM 45 N GLY A 4 9.487 10.605 -1.216 1.00 0.00 N ATOM 46 CA GLY A 4 10.083 11.884 -1.509 1.00 0.00 C ATOM 47 C GLY A 4 11.408 12.243 -0.802 1.00 0.00 C ATOM 48 O GLY A 4 12.047 11.403 -0.205 1.00 0.00 O ATOM 0 H GLY A 4 9.692 9.827 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.253 11.935 -2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.354 12.656 -1.265 1.00 0.00 H new ATOM 52 N THR A 5 11.656 13.529 -0.936 1.00 0.00 N ATOM 53 CA THR A 5 12.716 14.303 -0.383 1.00 0.00 C ATOM 54 C THR A 5 12.294 14.657 1.009 1.00 0.00 C ATOM 55 O THR A 5 11.103 14.593 1.317 1.00 0.00 O ATOM 56 CB THR A 5 12.997 15.521 -1.289 1.00 0.00 C ATOM 57 OG1 THR A 5 11.818 16.274 -1.121 1.00 0.00 O ATOM 58 CG2 THR A 5 13.149 14.969 -2.720 1.00 0.00 C ATOM 0 H THR A 5 11.040 14.111 -1.503 1.00 0.00 H new ATOM 0 HA THR A 5 13.662 13.763 -0.332 1.00 0.00 H new ATOM 0 HB THR A 5 13.886 16.113 -1.074 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.184 16.053 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.350 15.791 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.976 14.260 -2.750 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.228 14.466 -3.016 1.00 0.00 H new ATOM 66 N TRP A 6 13.329 14.965 1.731 1.00 0.00 N ATOM 67 CA TRP A 6 13.223 15.240 3.139 1.00 0.00 C ATOM 68 C TRP A 6 14.633 15.523 3.600 1.00 0.00 C ATOM 69 O TRP A 6 15.524 15.130 2.882 1.00 0.00 O ATOM 70 CB TRP A 6 12.956 13.797 3.678 1.00 0.00 C ATOM 71 CG TRP A 6 11.516 13.415 3.781 1.00 0.00 C ATOM 72 CD1 TRP A 6 11.027 12.162 3.562 1.00 0.00 C ATOM 73 CD2 TRP A 6 10.335 14.146 4.081 1.00 0.00 C ATOM 74 NE1 TRP A 6 9.661 12.055 3.699 1.00 0.00 N ATOM 75 CE2 TRP A 6 9.209 13.280 4.020 1.00 0.00 C ATOM 76 CE3 TRP A 6 10.039 15.476 4.407 1.00 0.00 C ATOM 77 CZ2 TRP A 6 7.901 13.660 4.254 1.00 0.00 C ATOM 78 CZ3 TRP A 6 8.736 15.849 4.646 1.00 0.00 C ATOM 79 CH2 TRP A 6 7.658 14.950 4.571 1.00 0.00 C ATOM 0 H TRP A 6 14.277 15.034 1.361 1.00 0.00 H new ATOM 0 HA TRP A 6 12.517 16.022 3.417 1.00 0.00 H new ATOM 0 HB2 TRP A 6 13.459 13.083 3.026 1.00 0.00 H new ATOM 0 HB3 TRP A 6 13.412 13.704 4.664 1.00 0.00 H new ATOM 0 HD1 TRP A 6 11.657 11.324 3.303 1.00 0.00 H new ATOM 0 HE1 TRP A 6 9.101 11.211 3.580 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.832 16.207 4.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 7.095 12.945 4.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.533 16.878 4.903 1.00 0.00 H new ATOM 0 HH2 TRP A 6 6.650 15.286 4.764 1.00 0.00 H new ATOM 90 N LYS A 7 14.789 16.118 4.754 1.00 0.00 N ATOM 91 CA LYS A 7 16.182 16.448 5.138 1.00 0.00 C ATOM 92 C LYS A 7 16.159 16.483 6.632 1.00 0.00 C ATOM 93 O LYS A 7 15.501 15.658 7.260 1.00 0.00 O ATOM 94 CB LYS A 7 16.488 17.794 4.452 1.00 0.00 C ATOM 95 CG LYS A 7 15.894 17.928 3.070 1.00 0.00 C ATOM 96 CD LYS A 7 16.279 19.042 2.121 1.00 0.00 C ATOM 97 CE LYS A 7 17.775 18.948 1.725 1.00 0.00 C ATOM 98 NZ LYS A 7 18.594 19.909 2.474 1.00 0.00 N ATOM 0 H LYS A 7 14.054 16.376 5.412 1.00 0.00 H new ATOM 0 HA LYS A 7 16.963 15.752 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 7 16.112 18.603 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 7 17.569 17.919 4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.100 16.992 2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.814 17.990 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.659 18.991 1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.084 20.007 2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.138 17.937 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.881 19.134 0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.565 19.902 2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.191 20.862 2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.607 19.644 3.480 1.00 0.00 H new ATOM 112 N VAL A 8 16.874 17.455 7.146 1.00 0.00 N ATOM 113 CA VAL A 8 16.882 17.705 8.566 1.00 0.00 C ATOM 114 C VAL A 8 17.198 19.203 8.720 1.00 0.00 C ATOM 115 O VAL A 8 18.195 19.584 9.279 1.00 0.00 O ATOM 116 CB VAL A 8 17.745 16.761 9.379 1.00 0.00 C ATOM 117 CG1 VAL A 8 17.964 17.282 10.796 1.00 0.00 C ATOM 118 CG2 VAL A 8 17.211 15.300 9.440 1.00 0.00 C ATOM 0 H VAL A 8 17.459 18.087 6.600 1.00 0.00 H new ATOM 0 HA VAL A 8 15.910 17.481 9.006 1.00 0.00 H new ATOM 0 HB VAL A 8 18.695 16.729 8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.587 16.580 11.350 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.460 18.252 10.754 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.002 17.387 11.298 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.886 14.691 10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.219 15.294 9.891 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.154 14.891 8.431 1.00 0.00 H new ATOM 128 N ASP A 9 16.282 19.974 8.132 1.00 0.00 N ATOM 129 CA ASP A 9 16.310 21.407 8.027 1.00 0.00 C ATOM 130 C ASP A 9 16.836 22.032 9.327 1.00 0.00 C ATOM 131 O ASP A 9 17.646 22.927 9.291 1.00 0.00 O ATOM 132 CB ASP A 9 14.833 21.849 7.964 1.00 0.00 C ATOM 133 CG ASP A 9 14.512 23.150 7.313 1.00 0.00 C ATOM 134 OD1 ASP A 9 15.233 24.116 7.401 1.00 0.00 O ATOM 135 OD2 ASP A 9 13.391 23.211 6.616 1.00 0.00 O ATOM 0 H ASP A 9 15.453 19.574 7.693 1.00 0.00 H new ATOM 0 HA ASP A 9 16.924 21.701 7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.275 21.070 7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.453 21.886 8.985 1.00 0.00 H new ATOM 140 N ARG A 10 16.285 21.483 10.389 1.00 0.00 N ATOM 141 CA ARG A 10 16.662 22.004 11.640 1.00 0.00 C ATOM 142 C ARG A 10 17.146 20.874 12.495 1.00 0.00 C ATOM 143 O ARG A 10 16.800 19.718 12.176 1.00 0.00 O ATOM 144 CB ARG A 10 15.481 22.768 12.255 1.00 0.00 C ATOM 145 CG ARG A 10 14.141 22.595 11.569 1.00 0.00 C ATOM 146 CD ARG A 10 13.803 23.688 10.519 1.00 0.00 C ATOM 147 NE ARG A 10 13.211 24.852 11.178 1.00 0.00 N ATOM 148 CZ ARG A 10 12.262 25.670 10.712 1.00 0.00 C ATOM 149 NH1 ARG A 10 11.687 25.529 9.531 1.00 0.00 N ATOM 150 NH2 ARG A 10 11.847 26.694 11.452 1.00 0.00 N ATOM 0 H ARG A 10 15.612 20.717 10.395 1.00 0.00 H new ATOM 0 HA ARG A 10 17.478 22.721 11.546 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.376 22.457 13.294 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.727 23.830 12.263 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.122 21.622 11.079 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.358 22.585 12.328 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.707 23.983 9.986 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.111 23.289 9.777 1.00 0.00 H new ATOM 0 HE ARG A 10 13.567 25.066 12.110 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.962 24.762 8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.968 26.188 9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 10 12.253 26.854 12.374 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.123 27.319 11.098 1.00 0.00 H new ATOM 164 N ASN A 11 17.898 21.143 13.525 1.00 0.00 N ATOM 165 CA ASN A 11 18.334 20.007 14.324 1.00 0.00 C ATOM 166 C ASN A 11 18.511 20.380 15.769 1.00 0.00 C ATOM 167 O ASN A 11 19.503 20.976 16.216 1.00 0.00 O ATOM 168 CB ASN A 11 19.630 19.490 13.710 1.00 0.00 C ATOM 169 CG ASN A 11 20.434 20.486 12.883 1.00 0.00 C ATOM 170 OD1 ASN A 11 20.394 21.693 13.097 1.00 0.00 O ATOM 171 ND2 ASN A 11 21.179 19.987 11.923 1.00 0.00 N ATOM 0 H ASN A 11 18.210 22.066 13.826 1.00 0.00 H new ATOM 0 HA ASN A 11 17.575 19.224 14.313 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.266 19.122 14.515 1.00 0.00 H new ATOM 0 HB3 ASN A 11 19.391 18.635 13.077 1.00 0.00 H new ATOM 0 HD21 ASN A 11 21.739 20.607 11.338 1.00 0.00 H new ATOM 0 HD22 ASN A 11 21.197 18.980 11.763 1.00 0.00 H new ATOM 178 N GLU A 12 17.491 20.013 16.532 1.00 0.00 N ATOM 179 CA GLU A 12 17.419 20.272 17.976 1.00 0.00 C ATOM 180 C GLU A 12 17.890 19.017 18.678 1.00 0.00 C ATOM 181 O GLU A 12 17.592 17.928 18.247 1.00 0.00 O ATOM 182 CB GLU A 12 16.038 20.715 18.531 1.00 0.00 C ATOM 183 CG GLU A 12 15.027 19.590 18.809 1.00 0.00 C ATOM 184 CD GLU A 12 14.697 19.357 20.281 1.00 0.00 C ATOM 185 OE1 GLU A 12 14.108 20.375 20.854 1.00 0.00 O ATOM 186 OE2 GLU A 12 14.939 18.352 20.895 1.00 0.00 O ATOM 0 H GLU A 12 16.676 19.520 16.167 1.00 0.00 H new ATOM 0 HA GLU A 12 18.054 21.137 18.170 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.201 21.266 19.457 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.590 21.411 17.821 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.102 19.816 18.278 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.417 18.662 18.390 1.00 0.00 H new ATOM 193 N ASN A 13 18.642 19.252 19.761 1.00 0.00 N ATOM 194 CA ASN A 13 19.215 18.212 20.578 1.00 0.00 C ATOM 195 C ASN A 13 20.205 17.349 19.778 1.00 0.00 C ATOM 196 O ASN A 13 20.594 16.332 20.315 1.00 0.00 O ATOM 197 CB ASN A 13 18.099 17.269 21.097 1.00 0.00 C ATOM 198 CG ASN A 13 17.616 17.515 22.509 1.00 0.00 C ATOM 199 OD1 ASN A 13 18.136 18.332 23.243 1.00 0.00 O ATOM 200 ND2 ASN A 13 16.571 16.746 22.857 1.00 0.00 N ATOM 0 H ASN A 13 18.864 20.193 20.087 1.00 0.00 H new ATOM 0 HA ASN A 13 19.734 18.702 21.402 1.00 0.00 H new ATOM 0 HB2 ASN A 13 17.245 17.348 20.425 1.00 0.00 H new ATOM 0 HB3 ASN A 13 18.461 16.243 21.033 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.165 16.829 23.789 1.00 0.00 H new ATOM 0 HD22 ASN A 13 16.184 16.079 22.189 1.00 0.00 H new ATOM 207 N TYR A 14 20.533 17.799 18.571 1.00 0.00 N ATOM 208 CA TYR A 14 21.419 17.136 17.645 1.00 0.00 C ATOM 209 C TYR A 14 22.887 17.274 17.954 1.00 0.00 C ATOM 210 O TYR A 14 23.620 16.286 17.885 1.00 0.00 O ATOM 211 CB TYR A 14 21.039 17.665 16.250 1.00 0.00 C ATOM 212 CG TYR A 14 21.388 16.862 15.074 1.00 0.00 C ATOM 213 CD1 TYR A 14 22.633 16.279 14.859 1.00 0.00 C ATOM 214 CD2 TYR A 14 20.422 16.645 14.070 1.00 0.00 C ATOM 215 CE1 TYR A 14 22.965 15.517 13.741 1.00 0.00 C ATOM 216 CE2 TYR A 14 20.726 15.883 12.936 1.00 0.00 C ATOM 217 CZ TYR A 14 21.984 15.328 12.781 1.00 0.00 C ATOM 218 OH TYR A 14 22.198 14.583 11.625 1.00 0.00 O ATOM 0 H TYR A 14 20.167 18.677 18.203 1.00 0.00 H new ATOM 0 HA TYR A 14 21.282 16.057 17.716 1.00 0.00 H new ATOM 0 HB2 TYR A 14 19.960 17.818 16.237 1.00 0.00 H new ATOM 0 HB3 TYR A 14 21.502 18.645 16.131 1.00 0.00 H new ATOM 0 HD1 TYR A 14 23.394 16.427 15.611 1.00 0.00 H new ATOM 0 HD2 TYR A 14 19.436 17.072 14.177 1.00 0.00 H new ATOM 0 HE1 TYR A 14 23.950 15.090 13.627 1.00 0.00 H new ATOM 0 HE2 TYR A 14 19.974 15.727 12.177 1.00 0.00 H new ATOM 0 HH TYR A 14 21.380 14.574 11.085 1.00 0.00 H new ATOM 228 N GLU A 15 23.414 18.437 18.304 1.00 0.00 N ATOM 229 CA GLU A 15 24.816 18.602 18.605 1.00 0.00 C ATOM 230 C GLU A 15 25.331 17.688 19.754 1.00 0.00 C ATOM 231 O GLU A 15 26.374 17.078 19.684 1.00 0.00 O ATOM 232 CB GLU A 15 25.130 20.075 18.936 1.00 0.00 C ATOM 233 CG GLU A 15 26.452 20.179 19.710 1.00 0.00 C ATOM 234 CD GLU A 15 26.252 20.382 21.188 1.00 0.00 C ATOM 235 OE1 GLU A 15 25.192 20.193 21.750 1.00 0.00 O ATOM 236 OE2 GLU A 15 27.367 20.780 21.732 1.00 0.00 O ATOM 0 H GLU A 15 22.871 19.296 18.386 1.00 0.00 H new ATOM 0 HA GLU A 15 25.345 18.295 17.703 1.00 0.00 H new ATOM 0 HB2 GLU A 15 25.193 20.656 18.016 1.00 0.00 H new ATOM 0 HB3 GLU A 15 24.320 20.502 19.527 1.00 0.00 H new ATOM 0 HG2 GLU A 15 27.034 19.271 19.549 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.037 21.008 19.311 1.00 0.00 H new ATOM 243 N LYS A 16 24.502 17.642 20.810 1.00 0.00 N ATOM 244 CA LYS A 16 24.776 16.845 21.988 1.00 0.00 C ATOM 245 C LYS A 16 24.412 15.376 21.745 1.00 0.00 C ATOM 246 O LYS A 16 24.880 14.451 22.374 1.00 0.00 O ATOM 247 CB LYS A 16 24.075 17.464 23.200 1.00 0.00 C ATOM 248 CG LYS A 16 24.837 17.239 24.497 1.00 0.00 C ATOM 249 CD LYS A 16 24.057 17.836 25.639 1.00 0.00 C ATOM 250 CE LYS A 16 24.737 18.975 26.367 1.00 0.00 C ATOM 251 NZ LYS A 16 24.029 19.469 27.555 1.00 0.00 N ATOM 0 H LYS A 16 23.626 18.162 20.858 1.00 0.00 H new ATOM 0 HA LYS A 16 25.844 16.850 22.205 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.953 18.535 23.036 1.00 0.00 H new ATOM 0 HB3 LYS A 16 23.075 17.040 23.292 1.00 0.00 H new ATOM 0 HG2 LYS A 16 24.989 16.173 24.663 1.00 0.00 H new ATOM 0 HG3 LYS A 16 25.825 17.696 24.437 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.101 18.192 25.256 1.00 0.00 H new ATOM 0 HD3 LYS A 16 23.838 17.047 26.359 1.00 0.00 H new ATOM 0 HE2 LYS A 16 25.733 18.650 26.666 1.00 0.00 H new ATOM 0 HE3 LYS A 16 24.868 19.804 25.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 24.571 20.246 27.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.087 19.814 27.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 23.927 18.697 28.244 1.00 0.00 H new ATOM 265 N PHE A 17 23.507 15.164 20.761 1.00 0.00 N ATOM 266 CA PHE A 17 22.998 13.833 20.366 1.00 0.00 C ATOM 267 C PHE A 17 24.065 12.902 19.791 1.00 0.00 C ATOM 268 O PHE A 17 24.228 11.694 20.070 1.00 0.00 O ATOM 269 CB PHE A 17 21.843 14.068 19.383 1.00 0.00 C ATOM 270 CG PHE A 17 21.686 13.092 18.249 1.00 0.00 C ATOM 271 CD1 PHE A 17 21.100 11.880 18.541 1.00 0.00 C ATOM 272 CD2 PHE A 17 22.096 13.346 16.953 1.00 0.00 C ATOM 273 CE1 PHE A 17 20.918 10.922 17.561 1.00 0.00 C ATOM 274 CE2 PHE A 17 21.911 12.391 15.979 1.00 0.00 C ATOM 275 CZ PHE A 17 21.319 11.154 16.260 1.00 0.00 C ATOM 0 H PHE A 17 23.105 15.924 20.213 1.00 0.00 H new ATOM 0 HA PHE A 17 22.654 13.306 21.256 1.00 0.00 H new ATOM 0 HB2 PHE A 17 20.913 14.075 19.952 1.00 0.00 H new ATOM 0 HB3 PHE A 17 21.962 15.064 18.956 1.00 0.00 H new ATOM 0 HD1 PHE A 17 20.778 11.675 19.551 1.00 0.00 H new ATOM 0 HD2 PHE A 17 22.559 14.290 16.706 1.00 0.00 H new ATOM 0 HE1 PHE A 17 20.456 9.980 17.816 1.00 0.00 H new ATOM 0 HE2 PHE A 17 22.232 12.602 14.970 1.00 0.00 H new ATOM 0 HZ PHE A 17 21.181 10.410 15.489 1.00 0.00 H new ATOM 285 N MET A 18 24.863 13.489 18.926 1.00 0.00 N ATOM 286 CA MET A 18 25.952 12.868 18.240 1.00 0.00 C ATOM 287 C MET A 18 27.107 12.710 19.234 1.00 0.00 C ATOM 288 O MET A 18 27.704 11.662 19.298 1.00 0.00 O ATOM 289 CB MET A 18 26.464 13.823 17.126 1.00 0.00 C ATOM 290 CG MET A 18 25.884 13.393 15.822 1.00 0.00 C ATOM 291 SD MET A 18 26.497 14.268 14.384 1.00 0.00 S ATOM 292 CE MET A 18 26.001 12.974 13.209 1.00 0.00 C ATOM 0 H MET A 18 24.754 14.472 18.675 1.00 0.00 H new ATOM 0 HA MET A 18 25.628 11.914 17.824 1.00 0.00 H new ATOM 0 HB2 MET A 18 26.175 14.850 17.347 1.00 0.00 H new ATOM 0 HB3 MET A 18 27.553 13.801 17.081 1.00 0.00 H new ATOM 0 HG2 MET A 18 26.080 12.329 15.690 1.00 0.00 H new ATOM 0 HG3 MET A 18 24.802 13.515 15.867 1.00 0.00 H new ATOM 0 HE1 MET A 18 26.429 13.188 12.230 1.00 0.00 H new ATOM 0 HE2 MET A 18 26.361 12.007 13.559 1.00 0.00 H new ATOM 0 HE3 MET A 18 24.914 12.950 13.132 1.00 0.00 H new ATOM 302 N GLU A 19 27.314 13.805 19.929 1.00 0.00 N ATOM 303 CA GLU A 19 28.368 13.967 20.908 1.00 0.00 C ATOM 304 C GLU A 19 28.537 12.806 21.885 1.00 0.00 C ATOM 305 O GLU A 19 29.626 12.262 22.112 1.00 0.00 O ATOM 306 CB GLU A 19 27.983 15.165 21.807 1.00 0.00 C ATOM 307 CG GLU A 19 29.191 16.043 22.133 1.00 0.00 C ATOM 308 CD GLU A 19 29.494 17.118 21.116 1.00 0.00 C ATOM 309 OE1 GLU A 19 29.046 17.107 19.987 1.00 0.00 O ATOM 310 OE2 GLU A 19 30.268 18.052 21.559 1.00 0.00 O ATOM 0 H GLU A 19 26.734 14.637 19.826 1.00 0.00 H new ATOM 0 HA GLU A 19 29.286 14.071 20.330 1.00 0.00 H new ATOM 0 HB2 GLU A 19 27.222 15.765 21.307 1.00 0.00 H new ATOM 0 HB3 GLU A 19 27.541 14.797 22.733 1.00 0.00 H new ATOM 0 HG2 GLU A 19 29.026 16.516 23.101 1.00 0.00 H new ATOM 0 HG3 GLU A 19 30.068 15.404 22.236 1.00 0.00 H new ATOM 317 N LYS A 20 27.398 12.462 22.484 1.00 0.00 N ATOM 318 CA LYS A 20 27.338 11.412 23.508 1.00 0.00 C ATOM 319 C LYS A 20 27.764 10.034 23.071 1.00 0.00 C ATOM 320 O LYS A 20 28.136 9.208 23.923 1.00 0.00 O ATOM 321 CB LYS A 20 25.930 11.511 24.114 1.00 0.00 C ATOM 322 CG LYS A 20 25.651 12.855 24.752 1.00 0.00 C ATOM 323 CD LYS A 20 26.236 12.772 26.149 1.00 0.00 C ATOM 324 CE LYS A 20 25.835 13.904 27.067 1.00 0.00 C ATOM 325 NZ LYS A 20 25.744 13.351 28.408 1.00 0.00 N ATOM 0 H LYS A 20 26.498 12.896 22.279 1.00 0.00 H new ATOM 0 HA LYS A 20 28.099 11.585 24.269 1.00 0.00 H new ATOM 0 HB2 LYS A 20 25.191 11.325 23.334 1.00 0.00 H new ATOM 0 HB3 LYS A 20 25.807 10.728 24.862 1.00 0.00 H new ATOM 0 HG2 LYS A 20 26.110 13.663 24.182 1.00 0.00 H new ATOM 0 HG3 LYS A 20 24.581 13.058 24.787 1.00 0.00 H new ATOM 0 HD2 LYS A 20 25.930 11.829 26.602 1.00 0.00 H new ATOM 0 HD3 LYS A 20 27.323 12.751 26.073 1.00 0.00 H new ATOM 0 HE2 LYS A 20 26.569 14.709 27.031 1.00 0.00 H new ATOM 0 HE3 LYS A 20 24.880 14.330 26.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 25.469 14.100 29.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 25.030 12.595 28.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 26.667 12.962 28.686 1.00 0.00 H new ATOM 339 N MET A 21 27.738 9.725 21.755 1.00 0.00 N ATOM 340 CA MET A 21 28.153 8.410 21.308 1.00 0.00 C ATOM 341 C MET A 21 29.689 8.350 21.091 1.00 0.00 C ATOM 342 O MET A 21 30.199 7.286 20.766 1.00 0.00 O ATOM 343 CB MET A 21 27.484 7.875 20.049 1.00 0.00 C ATOM 344 CG MET A 21 26.068 8.444 19.826 1.00 0.00 C ATOM 345 SD MET A 21 24.812 7.219 19.494 1.00 0.00 S ATOM 346 CE MET A 21 23.454 8.248 20.095 1.00 0.00 C ATOM 0 H MET A 21 27.440 10.360 21.015 1.00 0.00 H new ATOM 0 HA MET A 21 27.825 7.768 22.125 1.00 0.00 H new ATOM 0 HB2 MET A 21 28.105 8.114 19.186 1.00 0.00 H new ATOM 0 HB3 MET A 21 27.427 6.788 20.109 1.00 0.00 H new ATOM 0 HG2 MET A 21 25.777 9.012 20.709 1.00 0.00 H new ATOM 0 HG3 MET A 21 26.101 9.145 18.992 1.00 0.00 H new ATOM 0 HE1 MET A 21 22.859 7.683 20.813 1.00 0.00 H new ATOM 0 HE2 MET A 21 23.858 9.137 20.579 1.00 0.00 H new ATOM 0 HE3 MET A 21 22.824 8.545 19.257 1.00 0.00 H new ATOM 356 N GLY A 22 30.271 9.523 21.300 1.00 0.00 N ATOM 357 CA GLY A 22 31.719 9.778 21.181 1.00 0.00 C ATOM 358 C GLY A 22 32.085 10.710 20.029 1.00 0.00 C ATOM 359 O GLY A 22 33.181 10.633 19.458 1.00 0.00 O ATOM 0 H GLY A 22 29.742 10.354 21.565 1.00 0.00 H new ATOM 0 HA2 GLY A 22 32.081 10.209 22.114 1.00 0.00 H new ATOM 0 HA3 GLY A 22 32.236 8.828 21.047 1.00 0.00 H new ATOM 363 N ILE A 23 31.153 11.596 19.696 1.00 0.00 N ATOM 364 CA ILE A 23 31.421 12.505 18.611 1.00 0.00 C ATOM 365 C ILE A 23 32.252 13.690 19.078 1.00 0.00 C ATOM 366 O ILE A 23 33.136 14.129 18.338 1.00 0.00 O ATOM 367 CB ILE A 23 30.102 12.880 17.978 1.00 0.00 C ATOM 368 CG1 ILE A 23 29.498 11.767 17.175 1.00 0.00 C ATOM 369 CG2 ILE A 23 30.239 14.115 17.057 1.00 0.00 C ATOM 370 CD1 ILE A 23 29.772 10.385 17.720 1.00 0.00 C ATOM 0 H ILE A 23 30.243 11.697 20.146 1.00 0.00 H new ATOM 0 HA ILE A 23 32.034 12.031 17.845 1.00 0.00 H new ATOM 0 HB ILE A 23 29.443 13.106 18.817 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.420 11.917 17.123 1.00 0.00 H new ATOM 0 HG13 ILE A 23 29.877 11.824 16.155 1.00 0.00 H new ATOM 0 HG21 ILE A 23 29.269 14.353 16.621 1.00 0.00 H new ATOM 0 HG22 ILE A 23 30.593 14.966 17.639 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.951 13.898 16.261 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.299 9.641 17.079 1.00 0.00 H new ATOM 0 HD12 ILE A 23 30.848 10.211 17.746 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.367 10.305 18.729 1.00 0.00 H new ATOM 382 N ASN A 24 31.982 14.205 20.278 1.00 0.00 N ATOM 383 CA ASN A 24 32.715 15.332 20.814 1.00 0.00 C ATOM 384 C ASN A 24 32.577 16.666 20.127 1.00 0.00 C ATOM 385 O ASN A 24 31.904 16.762 19.120 1.00 0.00 O ATOM 386 CB ASN A 24 34.217 14.966 21.038 1.00 0.00 C ATOM 387 CG ASN A 24 34.447 14.046 22.200 1.00 0.00 C ATOM 388 OD1 ASN A 24 34.432 12.807 22.077 1.00 0.00 O ATOM 389 ND2 ASN A 24 34.666 14.640 23.359 1.00 0.00 N ATOM 0 H ASN A 24 31.252 13.849 20.896 1.00 0.00 H new ATOM 0 HA ASN A 24 32.210 15.510 21.763 1.00 0.00 H new ATOM 0 HB2 ASN A 24 34.607 14.499 20.134 1.00 0.00 H new ATOM 0 HB3 ASN A 24 34.786 15.883 21.194 1.00 0.00 H new ATOM 0 HD21 ASN A 24 34.831 14.080 24.196 1.00 0.00 H new ATOM 0 HD22 ASN A 24 34.670 15.658 23.417 1.00 0.00 H new ATOM 396 N VAL A 25 33.199 17.684 20.657 1.00 0.00 N ATOM 397 CA VAL A 25 33.117 19.001 20.049 1.00 0.00 C ATOM 398 C VAL A 25 33.860 19.292 18.764 1.00 0.00 C ATOM 399 O VAL A 25 33.494 20.256 18.071 1.00 0.00 O ATOM 400 CB VAL A 25 33.150 20.186 21.023 1.00 0.00 C ATOM 401 CG1 VAL A 25 32.148 20.003 22.143 1.00 0.00 C ATOM 402 CG2 VAL A 25 34.547 20.340 21.586 1.00 0.00 C ATOM 0 H VAL A 25 33.767 17.637 21.503 1.00 0.00 H new ATOM 0 HA VAL A 25 32.096 18.896 19.683 1.00 0.00 H new ATOM 0 HB VAL A 25 32.877 21.090 20.478 1.00 0.00 H new ATOM 0 HG11 VAL A 25 32.195 20.859 22.817 1.00 0.00 H new ATOM 0 HG12 VAL A 25 31.145 19.925 21.724 1.00 0.00 H new ATOM 0 HG13 VAL A 25 32.382 19.093 22.695 1.00 0.00 H new ATOM 0 HG21 VAL A 25 34.570 21.182 22.278 1.00 0.00 H new ATOM 0 HG22 VAL A 25 34.829 19.429 22.114 1.00 0.00 H new ATOM 0 HG23 VAL A 25 35.249 20.520 20.772 1.00 0.00 H new ATOM 412 N VAL A 26 34.877 18.555 18.364 1.00 0.00 N ATOM 413 CA VAL A 26 35.662 18.728 17.166 1.00 0.00 C ATOM 414 C VAL A 26 34.825 18.868 15.911 1.00 0.00 C ATOM 415 O VAL A 26 35.152 19.582 14.960 1.00 0.00 O ATOM 416 CB VAL A 26 36.764 17.680 16.991 1.00 0.00 C ATOM 417 CG1 VAL A 26 37.824 17.794 18.065 1.00 0.00 C ATOM 418 CG2 VAL A 26 36.136 16.316 17.091 1.00 0.00 C ATOM 0 H VAL A 26 35.198 17.758 18.914 1.00 0.00 H new ATOM 0 HA VAL A 26 36.167 19.682 17.317 1.00 0.00 H new ATOM 0 HB VAL A 26 37.239 17.839 16.023 1.00 0.00 H new ATOM 0 HG11 VAL A 26 38.588 17.033 17.905 1.00 0.00 H new ATOM 0 HG12 VAL A 26 38.282 18.782 18.021 1.00 0.00 H new ATOM 0 HG13 VAL A 26 37.367 17.649 19.044 1.00 0.00 H new ATOM 0 HG21 VAL A 26 36.904 15.552 16.969 1.00 0.00 H new ATOM 0 HG22 VAL A 26 35.664 16.203 18.067 1.00 0.00 H new ATOM 0 HG23 VAL A 26 35.385 16.203 16.309 1.00 0.00 H new ATOM 428 N LYS A 27 33.694 18.143 15.984 1.00 0.00 N ATOM 429 CA LYS A 27 32.712 18.108 14.963 1.00 0.00 C ATOM 430 C LYS A 27 31.844 19.390 15.095 1.00 0.00 C ATOM 431 O LYS A 27 31.349 19.926 14.077 1.00 0.00 O ATOM 432 CB LYS A 27 31.903 16.806 14.990 1.00 0.00 C ATOM 433 CG LYS A 27 32.754 15.549 14.886 1.00 0.00 C ATOM 434 CD LYS A 27 33.311 15.254 13.488 1.00 0.00 C ATOM 435 CE LYS A 27 34.340 14.114 13.416 1.00 0.00 C ATOM 436 NZ LYS A 27 35.735 14.569 13.256 1.00 0.00 N ATOM 0 H LYS A 27 33.462 17.561 16.789 1.00 0.00 H new ATOM 0 HA LYS A 27 33.182 18.107 13.980 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.326 16.767 15.914 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.187 16.817 14.168 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.589 15.635 15.582 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.156 14.697 15.209 1.00 0.00 H new ATOM 0 HD2 LYS A 27 32.479 15.012 12.827 1.00 0.00 H new ATOM 0 HD3 LYS A 27 33.772 16.162 13.100 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.267 13.515 14.324 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.084 13.461 12.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 36.367 13.744 13.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.823 15.116 12.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.999 15.168 14.064 1.00 0.00 H new ATOM 595 N LYS A 37 19.619 15.358 2.826 1.00 0.00 N ATOM 596 CA LYS A 37 18.259 15.075 2.377 1.00 0.00 C ATOM 597 C LYS A 37 18.097 13.587 2.701 1.00 0.00 C ATOM 598 O LYS A 37 18.500 12.774 1.885 1.00 0.00 O ATOM 599 CB LYS A 37 18.076 15.339 0.906 1.00 0.00 C ATOM 600 CG LYS A 37 16.647 15.483 0.385 1.00 0.00 C ATOM 601 CD LYS A 37 16.692 15.178 -1.114 1.00 0.00 C ATOM 602 CE LYS A 37 17.798 15.940 -1.832 1.00 0.00 C ATOM 603 NZ LYS A 37 17.741 15.955 -3.309 1.00 0.00 N ATOM 0 HA LYS A 37 17.516 15.710 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 37 18.617 16.252 0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.553 14.527 0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.976 14.795 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.270 16.490 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.839 14.108 -1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.731 15.431 -1.562 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.785 16.972 -1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.755 15.513 -1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.208 16.813 -3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.227 15.115 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.748 15.947 -3.618 1.00 0.00 H new ATOM 617 N LEU A 38 17.535 13.208 3.836 1.00 0.00 N ATOM 618 CA LEU A 38 17.285 11.809 4.159 1.00 0.00 C ATOM 619 C LEU A 38 16.520 11.276 2.957 1.00 0.00 C ATOM 620 O LEU A 38 16.626 10.065 2.688 1.00 0.00 O ATOM 621 CB LEU A 38 16.215 11.653 5.227 1.00 0.00 C ATOM 622 CG LEU A 38 16.502 10.571 6.270 1.00 0.00 C ATOM 623 CD1 LEU A 38 17.023 9.303 5.567 1.00 0.00 C ATOM 624 CD2 LEU A 38 17.583 11.129 7.169 1.00 0.00 C ATOM 0 H LEU A 38 17.238 13.860 4.562 1.00 0.00 H new ATOM 0 HA LEU A 38 18.231 11.346 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 38 16.091 12.607 5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.266 11.426 4.740 1.00 0.00 H new ATOM 0 HG LEU A 38 15.606 10.309 6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 38 17.227 8.533 6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 38 16.271 8.941 4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 38 17.940 9.537 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.831 10.397 7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 38 18.471 11.348 6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 38 17.227 12.044 7.641 1.00 0.00 H new ATOM 636 N THR A 39 15.805 12.196 2.386 1.00 0.00 N ATOM 637 CA THR A 39 14.857 12.011 1.253 1.00 0.00 C ATOM 638 C THR A 39 14.074 10.787 1.750 1.00 0.00 C ATOM 639 O THR A 39 13.757 10.854 2.924 1.00 0.00 O ATOM 640 CB THR A 39 15.624 11.796 -0.051 1.00 0.00 C ATOM 641 OG1 THR A 39 16.827 12.544 0.105 1.00 0.00 O ATOM 642 CG2 THR A 39 14.933 12.268 -1.324 1.00 0.00 C ATOM 0 H THR A 39 15.847 13.167 2.694 1.00 0.00 H new ATOM 0 HA THR A 39 14.207 12.852 1.014 1.00 0.00 H new ATOM 0 HB THR A 39 15.747 10.722 -0.191 1.00 0.00 H new ATOM 0 HG1 THR A 39 17.374 12.140 0.811 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.572 12.063 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.987 11.740 -1.442 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.745 13.340 -1.260 1.00 0.00 H new ATOM 650 N ILE A 40 13.848 9.799 0.929 1.00 0.00 N ATOM 651 CA ILE A 40 13.177 8.554 1.225 1.00 0.00 C ATOM 652 C ILE A 40 12.185 8.095 0.142 1.00 0.00 C ATOM 653 O ILE A 40 11.351 8.829 -0.330 1.00 0.00 O ATOM 654 CB ILE A 40 12.456 8.536 2.556 1.00 0.00 C ATOM 655 CG1 ILE A 40 13.409 8.284 3.759 1.00 0.00 C ATOM 656 CG2 ILE A 40 11.383 7.423 2.574 1.00 0.00 C ATOM 657 CD1 ILE A 40 12.957 9.028 5.025 1.00 0.00 C ATOM 0 H ILE A 40 14.151 9.843 -0.044 1.00 0.00 H new ATOM 0 HA ILE A 40 14.011 7.853 1.262 1.00 0.00 H new ATOM 0 HB ILE A 40 12.008 9.524 2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.455 7.215 3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 40 14.417 8.602 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.874 7.424 3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.658 7.604 1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.860 6.456 2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.654 8.821 5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.936 10.100 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.960 8.692 5.308 1.00 0.00 H new ATOM 669 N THR A 41 12.347 6.821 -0.202 1.00 0.00 N ATOM 670 CA THR A 41 11.519 6.186 -1.204 1.00 0.00 C ATOM 671 C THR A 41 11.352 4.708 -0.936 1.00 0.00 C ATOM 672 O THR A 41 12.289 3.930 -1.161 1.00 0.00 O ATOM 673 CB THR A 41 12.014 6.410 -2.639 1.00 0.00 C ATOM 674 OG1 THR A 41 12.723 7.608 -2.751 1.00 0.00 O ATOM 675 CG2 THR A 41 10.856 6.461 -3.614 1.00 0.00 C ATOM 0 H THR A 41 13.053 6.209 0.207 1.00 0.00 H new ATOM 0 HA THR A 41 10.547 6.673 -1.123 1.00 0.00 H new ATOM 0 HB THR A 41 12.667 5.570 -2.877 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.027 7.723 -3.676 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.237 6.621 -4.623 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.308 5.519 -3.578 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.189 7.280 -3.344 1.00 0.00 H new ATOM 683 N GLN A 42 10.182 4.337 -0.463 1.00 0.00 N ATOM 684 CA GLN A 42 9.865 2.961 -0.155 1.00 0.00 C ATOM 685 C GLN A 42 10.143 2.151 -1.372 1.00 0.00 C ATOM 686 O GLN A 42 9.943 2.616 -2.486 1.00 0.00 O ATOM 687 CB GLN A 42 8.364 2.915 0.126 1.00 0.00 C ATOM 688 CG GLN A 42 8.039 2.710 1.600 1.00 0.00 C ATOM 689 CD GLN A 42 8.189 3.967 2.462 1.00 0.00 C ATOM 690 OE1 GLN A 42 9.270 4.631 2.499 1.00 0.00 O ATOM 691 NE2 GLN A 42 7.085 4.274 3.146 1.00 0.00 N ATOM 0 H GLN A 42 9.418 4.988 -0.280 1.00 0.00 H new ATOM 0 HA GLN A 42 10.440 2.584 0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.908 3.844 -0.215 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.916 2.108 -0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.016 2.345 1.686 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.690 1.931 1.998 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.254 3.688 3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.072 5.094 3.752 1.00 0.00 H new ATOM 700 N GLU A 43 10.603 0.948 -1.151 1.00 0.00 N ATOM 701 CA GLU A 43 10.916 0.072 -2.248 1.00 0.00 C ATOM 702 C GLU A 43 10.006 -1.145 -2.089 1.00 0.00 C ATOM 703 O GLU A 43 9.338 -1.521 -3.049 1.00 0.00 O ATOM 704 CB GLU A 43 12.418 -0.233 -2.162 1.00 0.00 C ATOM 705 CG GLU A 43 13.223 0.184 -3.381 1.00 0.00 C ATOM 706 CD GLU A 43 12.854 -0.815 -4.415 1.00 0.00 C ATOM 707 OE1 GLU A 43 11.890 -1.533 -4.356 1.00 0.00 O ATOM 708 OE2 GLU A 43 13.687 -0.843 -5.406 1.00 0.00 O ATOM 0 H GLU A 43 10.769 0.554 -0.225 1.00 0.00 H new ATOM 0 HA GLU A 43 10.738 0.487 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.827 0.269 -1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.549 -1.304 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.973 1.197 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 43 14.294 0.170 -3.176 1.00 0.00 H new ATOM 715 N GLY A 44 9.986 -1.738 -0.908 1.00 0.00 N ATOM 716 CA GLY A 44 9.210 -2.906 -0.510 1.00 0.00 C ATOM 717 C GLY A 44 10.008 -3.512 0.646 1.00 0.00 C ATOM 718 O GLY A 44 10.642 -4.542 0.478 1.00 0.00 O ATOM 0 H GLY A 44 10.557 -1.389 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.204 -2.627 -0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.103 -3.612 -1.333 1.00 0.00 H new ATOM 722 N ASN A 45 9.897 -2.766 1.747 1.00 0.00 N ATOM 723 CA ASN A 45 10.534 -3.003 3.021 1.00 0.00 C ATOM 724 C ASN A 45 11.716 -1.991 3.039 1.00 0.00 C ATOM 725 O ASN A 45 11.708 -0.973 3.683 1.00 0.00 O ATOM 726 CB ASN A 45 10.993 -4.453 3.255 1.00 0.00 C ATOM 727 CG ASN A 45 9.817 -5.431 3.366 1.00 0.00 C ATOM 728 OD1 ASN A 45 8.760 -5.119 3.986 1.00 0.00 O ATOM 729 ND2 ASN A 45 9.960 -6.599 2.790 1.00 0.00 N ATOM 0 H ASN A 45 9.318 -1.926 1.761 1.00 0.00 H new ATOM 0 HA ASN A 45 9.831 -2.857 3.841 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.642 -4.762 2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.587 -4.500 4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.207 -7.285 2.835 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.825 -6.822 2.297 1.00 0.00 H new ATOM 736 N LYS A 46 12.737 -2.341 2.260 1.00 0.00 N ATOM 737 CA LYS A 46 13.847 -1.423 2.202 1.00 0.00 C ATOM 738 C LYS A 46 13.318 -0.153 1.525 1.00 0.00 C ATOM 739 O LYS A 46 12.247 -0.083 0.924 1.00 0.00 O ATOM 740 CB LYS A 46 14.992 -1.842 1.260 1.00 0.00 C ATOM 741 CG LYS A 46 15.256 -0.950 0.050 1.00 0.00 C ATOM 742 CD LYS A 46 16.190 -1.696 -0.931 1.00 0.00 C ATOM 743 CE LYS A 46 15.403 -2.611 -1.833 1.00 0.00 C ATOM 744 NZ LYS A 46 15.458 -4.053 -1.471 1.00 0.00 N ATOM 0 H LYS A 46 12.812 -3.191 1.702 1.00 0.00 H new ATOM 0 HA LYS A 46 14.222 -1.342 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.909 -1.898 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.782 -2.849 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.317 -0.697 -0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.713 -0.012 0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.744 -0.975 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.925 -2.275 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.361 -2.291 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.769 -2.494 -2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.276 -4.630 -2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.400 -4.280 -1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.737 -4.258 -0.750 1.00 0.00 H new ATOM 758 N PHE A 47 14.183 0.859 1.643 1.00 0.00 N ATOM 759 CA PHE A 47 13.852 2.102 1.001 1.00 0.00 C ATOM 760 C PHE A 47 15.101 2.807 0.424 1.00 0.00 C ATOM 761 O PHE A 47 16.053 3.062 1.124 1.00 0.00 O ATOM 762 CB PHE A 47 13.140 3.081 1.965 1.00 0.00 C ATOM 763 CG PHE A 47 12.699 2.513 3.301 1.00 0.00 C ATOM 764 CD1 PHE A 47 13.693 2.247 4.245 1.00 0.00 C ATOM 765 CD2 PHE A 47 11.385 2.268 3.599 1.00 0.00 C ATOM 766 CE1 PHE A 47 13.384 1.732 5.501 1.00 0.00 C ATOM 767 CE2 PHE A 47 11.041 1.758 4.836 1.00 0.00 C ATOM 768 CZ PHE A 47 12.031 1.490 5.785 1.00 0.00 C ATOM 0 H PHE A 47 15.067 0.835 2.151 1.00 0.00 H new ATOM 0 HA PHE A 47 13.176 1.840 0.187 1.00 0.00 H new ATOM 0 HB2 PHE A 47 13.809 3.920 2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 47 12.262 3.482 1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 47 14.725 2.445 3.995 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.618 2.473 2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.155 1.527 6.228 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.004 1.566 5.070 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.752 1.092 6.749 1.00 0.00 H new ATOM 778 N THR A 48 15.050 3.098 -0.847 1.00 0.00 N ATOM 779 CA THR A 48 16.175 3.757 -1.460 1.00 0.00 C ATOM 780 C THR A 48 16.010 5.128 -0.937 1.00 0.00 C ATOM 781 O THR A 48 15.335 5.990 -1.520 1.00 0.00 O ATOM 782 CB THR A 48 16.169 3.854 -3.009 1.00 0.00 C ATOM 783 OG1 THR A 48 16.260 2.536 -3.499 1.00 0.00 O ATOM 784 CG2 THR A 48 17.323 4.676 -3.580 1.00 0.00 C ATOM 0 H THR A 48 14.265 2.897 -1.466 1.00 0.00 H new ATOM 0 HA THR A 48 17.092 3.211 -1.237 1.00 0.00 H new ATOM 0 HB THR A 48 15.256 4.364 -3.316 1.00 0.00 H new ATOM 0 HG1 THR A 48 16.258 2.550 -4.479 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.251 4.698 -4.667 1.00 0.00 H new ATOM 0 HG22 THR A 48 17.272 5.693 -3.192 1.00 0.00 H new ATOM 0 HG23 THR A 48 18.271 4.224 -3.288 1.00 0.00 H new ATOM 792 N VAL A 49 16.616 5.391 0.178 1.00 0.00 N ATOM 793 CA VAL A 49 16.511 6.747 0.790 1.00 0.00 C ATOM 794 C VAL A 49 17.819 7.371 0.360 1.00 0.00 C ATOM 795 O VAL A 49 18.807 6.691 0.086 1.00 0.00 O ATOM 796 CB VAL A 49 16.404 6.761 2.286 1.00 0.00 C ATOM 797 CG1 VAL A 49 15.285 5.833 2.773 1.00 0.00 C ATOM 798 CG2 VAL A 49 17.661 6.299 3.022 1.00 0.00 C ATOM 0 H VAL A 49 17.185 4.724 0.700 1.00 0.00 H new ATOM 0 HA VAL A 49 15.603 7.259 0.472 1.00 0.00 H new ATOM 0 HB VAL A 49 16.216 7.810 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 49 15.233 5.866 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 49 14.333 6.160 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 49 15.492 4.813 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 49 17.490 6.343 4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 49 17.896 5.274 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.495 6.950 2.761 1.00 0.00 H new ATOM 808 N LYS A 50 17.834 8.669 0.297 1.00 0.00 N ATOM 809 CA LYS A 50 19.046 9.395 -0.098 1.00 0.00 C ATOM 810 C LYS A 50 19.780 9.569 1.190 1.00 0.00 C ATOM 811 O LYS A 50 19.816 8.539 1.900 1.00 0.00 O ATOM 812 CB LYS A 50 18.690 10.712 -0.689 1.00 0.00 C ATOM 813 CG LYS A 50 19.521 11.139 -1.864 1.00 0.00 C ATOM 814 CD LYS A 50 18.709 12.012 -2.776 1.00 0.00 C ATOM 815 CE LYS A 50 19.055 11.535 -4.148 1.00 0.00 C ATOM 816 NZ LYS A 50 18.751 12.653 -5.056 1.00 0.00 N ATOM 0 H LYS A 50 17.033 9.263 0.510 1.00 0.00 H new ATOM 0 HA LYS A 50 19.635 8.874 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.645 10.682 -0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.772 11.473 0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.403 11.679 -1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.876 10.263 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.642 11.911 -2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.959 13.065 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.107 11.257 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.475 10.650 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.974 12.377 -6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.741 12.893 -4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.323 13.481 -4.791 1.00 0.00 H new ATOM 830 N GLU A 51 20.291 10.740 1.465 1.00 0.00 N ATOM 831 CA GLU A 51 20.991 11.097 2.683 1.00 0.00 C ATOM 832 C GLU A 51 22.225 11.833 2.221 1.00 0.00 C ATOM 833 O GLU A 51 23.351 11.347 2.303 1.00 0.00 O ATOM 834 CB GLU A 51 21.470 9.900 3.456 1.00 0.00 C ATOM 835 CG GLU A 51 22.509 10.054 4.546 1.00 0.00 C ATOM 836 CD GLU A 51 23.576 9.031 4.435 1.00 0.00 C ATOM 837 OE1 GLU A 51 24.050 8.825 3.348 1.00 0.00 O ATOM 838 OE2 GLU A 51 23.975 8.366 5.554 1.00 0.00 O ATOM 0 H GLU A 51 20.229 11.520 0.810 1.00 0.00 H new ATOM 0 HA GLU A 51 20.322 11.665 3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.593 9.439 3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.866 9.187 2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 51 22.951 11.049 4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.028 9.974 5.521 1.00 0.00 H new ATOM 845 N SER A 52 22.104 13.042 1.691 1.00 0.00 N ATOM 846 CA SER A 52 23.277 13.772 1.215 1.00 0.00 C ATOM 847 C SER A 52 23.621 14.852 2.206 1.00 0.00 C ATOM 848 O SER A 52 23.329 16.030 1.917 1.00 0.00 O ATOM 849 CB SER A 52 22.932 14.403 -0.105 1.00 0.00 C ATOM 850 OG SER A 52 24.089 14.925 -0.717 1.00 0.00 O ATOM 0 H SER A 52 21.218 13.536 1.579 1.00 0.00 H new ATOM 0 HA SER A 52 24.126 13.098 1.103 1.00 0.00 H new ATOM 0 HB2 SER A 52 22.469 13.664 -0.759 1.00 0.00 H new ATOM 0 HB3 SER A 52 22.202 15.198 0.045 1.00 0.00 H new ATOM 0 HG SER A 52 23.850 15.331 -1.576 1.00 0.00 H new ATOM 856 N SER A 53 24.213 14.485 3.330 1.00 0.00 N ATOM 857 CA SER A 53 24.539 15.437 4.371 1.00 0.00 C ATOM 858 C SER A 53 25.718 16.298 4.032 1.00 0.00 C ATOM 859 O SER A 53 26.325 16.803 4.975 1.00 0.00 O ATOM 860 CB SER A 53 24.741 14.759 5.737 1.00 0.00 C ATOM 861 OG SER A 53 26.080 14.532 6.053 1.00 0.00 O ATOM 0 H SER A 53 24.479 13.524 3.543 1.00 0.00 H new ATOM 0 HA SER A 53 23.671 16.093 4.443 1.00 0.00 H new ATOM 0 HB2 SER A 53 24.293 15.381 6.512 1.00 0.00 H new ATOM 0 HB3 SER A 53 24.208 13.808 5.744 1.00 0.00 H new ATOM 0 HG SER A 53 26.553 15.389 6.108 1.00 0.00 H new ATOM 867 N ASN A 54 26.068 16.504 2.792 1.00 0.00 N ATOM 868 CA ASN A 54 27.240 17.378 2.525 1.00 0.00 C ATOM 869 C ASN A 54 28.545 16.803 2.957 1.00 0.00 C ATOM 870 O ASN A 54 29.581 17.458 2.742 1.00 0.00 O ATOM 871 CB ASN A 54 27.077 18.782 3.174 1.00 0.00 C ATOM 872 CG ASN A 54 27.703 19.904 2.430 1.00 0.00 C ATOM 873 OD1 ASN A 54 27.153 20.369 1.413 1.00 0.00 O ATOM 874 ND2 ASN A 54 28.857 20.373 2.907 1.00 0.00 N ATOM 0 H ASN A 54 25.605 16.115 1.971 1.00 0.00 H new ATOM 0 HA ASN A 54 27.262 17.465 1.439 1.00 0.00 H new ATOM 0 HB2 ASN A 54 26.013 18.991 3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 54 27.502 18.751 4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 54 29.328 21.145 2.435 1.00 0.00 H new ATOM 0 HD22 ASN A 54 29.269 19.959 3.744 1.00 0.00 H new ATOM 881 N PHE A 55 28.606 15.627 3.555 1.00 0.00 N ATOM 882 CA PHE A 55 29.857 15.032 3.995 1.00 0.00 C ATOM 883 C PHE A 55 30.321 13.931 3.146 1.00 0.00 C ATOM 884 O PHE A 55 31.444 13.944 2.669 1.00 0.00 O ATOM 885 CB PHE A 55 29.670 14.355 5.362 1.00 0.00 C ATOM 886 CG PHE A 55 29.150 15.319 6.373 1.00 0.00 C ATOM 887 CD1 PHE A 55 29.117 16.686 6.129 1.00 0.00 C ATOM 888 CD2 PHE A 55 28.680 14.876 7.596 1.00 0.00 C ATOM 889 CE1 PHE A 55 28.630 17.612 7.067 1.00 0.00 C ATOM 890 CE2 PHE A 55 28.195 15.762 8.547 1.00 0.00 C ATOM 891 CZ PHE A 55 28.174 17.119 8.278 1.00 0.00 C ATOM 0 H PHE A 55 27.785 15.054 3.751 1.00 0.00 H new ATOM 0 HA PHE A 55 30.563 15.862 3.987 1.00 0.00 H new ATOM 0 HB2 PHE A 55 28.979 13.518 5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 55 30.621 13.946 5.701 1.00 0.00 H new ATOM 0 HD1 PHE A 55 29.480 17.052 5.180 1.00 0.00 H new ATOM 0 HD2 PHE A 55 28.691 13.819 7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 55 28.612 18.670 6.851 1.00 0.00 H new ATOM 0 HE2 PHE A 55 27.834 15.393 9.496 1.00 0.00 H new ATOM 0 HZ PHE A 55 27.797 17.804 9.023 1.00 0.00 H new ATOM 901 N ARG A 56 29.442 12.968 2.959 1.00 0.00 N ATOM 902 CA ARG A 56 29.693 11.798 2.160 1.00 0.00 C ATOM 903 C ARG A 56 28.852 11.865 0.910 1.00 0.00 C ATOM 904 O ARG A 56 29.386 11.938 -0.187 1.00 0.00 O ATOM 905 CB ARG A 56 29.322 10.532 2.920 1.00 0.00 C ATOM 906 CG ARG A 56 29.349 9.244 2.114 1.00 0.00 C ATOM 907 CD ARG A 56 29.510 7.975 2.957 1.00 0.00 C ATOM 908 NE ARG A 56 29.894 6.832 2.146 1.00 0.00 N ATOM 909 CZ ARG A 56 31.173 6.491 1.920 1.00 0.00 C ATOM 910 NH1 ARG A 56 32.198 7.170 2.424 1.00 0.00 N ATOM 911 NH2 ARG A 56 31.466 5.433 1.167 1.00 0.00 N ATOM 0 H ARG A 56 28.510 12.983 3.372 1.00 0.00 H new ATOM 0 HA ARG A 56 30.755 11.770 1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 56 30.004 10.425 3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 56 28.321 10.659 3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 56 28.426 9.169 1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 56 30.168 9.296 1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 56 30.263 8.143 3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 56 28.573 7.758 3.470 1.00 0.00 H new ATOM 0 HE ARG A 56 29.158 6.262 1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 56 32.029 7.988 3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 56 33.153 6.873 2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 56 30.717 4.875 0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 56 32.440 5.180 1.000 1.00 0.00 H new ATOM 925 N ASN A 57 27.582 11.839 1.164 1.00 0.00 N ATOM 926 CA ASN A 57 26.519 11.885 0.231 1.00 0.00 C ATOM 927 C ASN A 57 26.570 10.643 -0.631 1.00 0.00 C ATOM 928 O ASN A 57 27.497 10.493 -1.443 1.00 0.00 O ATOM 929 CB ASN A 57 26.606 13.139 -0.666 1.00 0.00 C ATOM 930 CG ASN A 57 25.923 12.847 -1.985 1.00 0.00 C ATOM 931 OD1 ASN A 57 24.692 12.582 -2.045 1.00 0.00 O ATOM 932 ND2 ASN A 57 26.688 12.888 -3.036 1.00 0.00 N ATOM 0 H ASN A 57 27.239 11.779 2.123 1.00 0.00 H new ATOM 0 HA ASN A 57 25.579 11.931 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 57 26.130 13.988 -0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 57 27.648 13.411 -0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 57 26.297 12.701 -3.959 1.00 0.00 H new ATOM 0 HD22 ASN A 57 27.679 13.107 -2.937 1.00 0.00 H new ATOM 939 N ILE A 58 25.588 9.784 -0.450 1.00 0.00 N ATOM 940 CA ILE A 58 25.591 8.604 -1.256 1.00 0.00 C ATOM 941 C ILE A 58 24.155 8.088 -1.485 1.00 0.00 C ATOM 942 O ILE A 58 23.761 8.011 -2.672 1.00 0.00 O ATOM 943 CB ILE A 58 26.458 7.499 -0.742 1.00 0.00 C ATOM 944 CG1 ILE A 58 26.421 6.246 -1.620 1.00 0.00 C ATOM 945 CG2 ILE A 58 26.153 7.086 0.675 1.00 0.00 C ATOM 946 CD1 ILE A 58 27.342 6.397 -2.808 1.00 0.00 C ATOM 0 H ILE A 58 24.820 9.879 0.214 1.00 0.00 H new ATOM 0 HA ILE A 58 26.032 8.913 -2.204 1.00 0.00 H new ATOM 0 HB ILE A 58 27.456 7.937 -0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 58 26.716 5.376 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 58 25.402 6.067 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 58 26.825 6.281 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 58 26.292 7.938 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 58 25.121 6.740 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 58 27.300 5.495 -3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 58 27.029 7.254 -3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 58 28.363 6.552 -2.459 1.00 0.00 H new ATOM 958 N ASP A 59 23.488 7.784 -0.405 1.00 0.00 N ATOM 959 CA ASP A 59 22.147 7.282 -0.383 1.00 0.00 C ATOM 960 C ASP A 59 22.125 6.114 0.593 1.00 0.00 C ATOM 961 O ASP A 59 23.179 5.504 0.793 1.00 0.00 O ATOM 962 CB ASP A 59 21.677 6.639 -1.684 1.00 0.00 C ATOM 963 CG ASP A 59 22.435 5.449 -2.229 1.00 0.00 C ATOM 964 OD1 ASP A 59 22.268 4.325 -1.548 1.00 0.00 O ATOM 965 OD2 ASP A 59 23.138 5.482 -3.203 1.00 0.00 O ATOM 0 H ASP A 59 23.888 7.886 0.528 1.00 0.00 H new ATOM 0 HA ASP A 59 21.518 8.141 -0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.640 6.333 -1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.680 7.412 -2.453 1.00 0.00 H new ATOM 970 N VAL A 60 21.014 5.767 1.191 1.00 0.00 N ATOM 971 CA VAL A 60 20.960 4.665 2.107 1.00 0.00 C ATOM 972 C VAL A 60 19.810 3.769 1.658 1.00 0.00 C ATOM 973 O VAL A 60 18.774 4.227 1.180 1.00 0.00 O ATOM 974 CB VAL A 60 20.814 5.047 3.564 1.00 0.00 C ATOM 975 CG1 VAL A 60 21.459 3.965 4.422 1.00 0.00 C ATOM 976 CG2 VAL A 60 21.579 6.328 3.846 1.00 0.00 C ATOM 0 H VAL A 60 20.122 6.243 1.054 1.00 0.00 H new ATOM 0 HA VAL A 60 21.921 4.152 2.072 1.00 0.00 H new ATOM 0 HB VAL A 60 19.754 5.170 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 60 21.360 4.229 5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 60 20.963 3.012 4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 60 22.515 3.880 4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 60 21.468 6.594 4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 60 22.635 6.179 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 60 21.185 7.132 3.224 1.00 0.00 H new ATOM 986 N VAL A 61 20.034 2.486 1.830 1.00 0.00 N ATOM 987 CA VAL A 61 18.999 1.514 1.435 1.00 0.00 C ATOM 988 C VAL A 61 19.226 0.249 2.180 1.00 0.00 C ATOM 989 O VAL A 61 20.370 -0.196 2.234 1.00 0.00 O ATOM 990 CB VAL A 61 19.117 1.336 -0.060 1.00 0.00 C ATOM 991 CG1 VAL A 61 20.512 1.718 -0.581 1.00 0.00 C ATOM 992 CG2 VAL A 61 18.874 -0.131 -0.434 1.00 0.00 C ATOM 0 H VAL A 61 20.885 2.086 2.224 1.00 0.00 H new ATOM 0 HA VAL A 61 17.990 1.849 1.673 1.00 0.00 H new ATOM 0 HB VAL A 61 18.372 1.991 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 61 20.549 1.574 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 61 20.714 2.763 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.263 1.088 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 61 18.961 -0.250 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.614 -0.760 0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 61 17.874 -0.427 -0.116 1.00 0.00 H new ATOM 1002 N PHE A 62 18.182 -0.317 2.736 1.00 0.00 N ATOM 1003 CA PHE A 62 18.331 -1.535 3.468 1.00 0.00 C ATOM 1004 C PHE A 62 16.976 -2.043 3.966 1.00 0.00 C ATOM 1005 O PHE A 62 16.359 -1.297 4.747 1.00 0.00 O ATOM 1006 CB PHE A 62 19.281 -1.288 4.668 1.00 0.00 C ATOM 1007 CG PHE A 62 18.993 -0.028 5.459 1.00 0.00 C ATOM 1008 CD1 PHE A 62 19.418 1.246 5.149 1.00 0.00 C ATOM 1009 CD2 PHE A 62 18.234 -0.156 6.603 1.00 0.00 C ATOM 1010 CE1 PHE A 62 19.105 2.351 5.932 1.00 0.00 C ATOM 1011 CE2 PHE A 62 17.903 0.914 7.407 1.00 0.00 C ATOM 1012 CZ PHE A 62 18.327 2.189 7.091 1.00 0.00 C ATOM 0 H PHE A 62 17.231 0.048 2.692 1.00 0.00 H new ATOM 0 HA PHE A 62 18.753 -2.296 2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 62 19.223 -2.144 5.341 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.305 -1.242 4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 62 20.018 1.391 4.263 1.00 0.00 H new ATOM 0 HD2 PHE A 62 17.883 -1.139 6.882 1.00 0.00 H new ATOM 0 HE1 PHE A 62 19.459 3.332 5.650 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.306 0.753 8.293 1.00 0.00 H new ATOM 0 HZ PHE A 62 18.070 3.033 7.713 1.00 0.00 H new ATOM 1022 N GLU A 63 16.629 -3.206 3.506 1.00 0.00 N ATOM 1023 CA GLU A 63 15.410 -3.943 3.794 1.00 0.00 C ATOM 1024 C GLU A 63 15.082 -3.568 5.237 1.00 0.00 C ATOM 1025 O GLU A 63 15.620 -4.234 6.126 1.00 0.00 O ATOM 1026 CB GLU A 63 15.558 -5.464 3.705 1.00 0.00 C ATOM 1027 CG GLU A 63 16.060 -5.813 2.266 1.00 0.00 C ATOM 1028 CD GLU A 63 15.692 -7.158 1.739 1.00 0.00 C ATOM 1029 OE1 GLU A 63 15.954 -8.171 2.344 1.00 0.00 O ATOM 1030 OE2 GLU A 63 15.072 -7.082 0.573 1.00 0.00 O ATOM 0 H GLU A 63 17.234 -3.718 2.864 1.00 0.00 H new ATOM 0 HA GLU A 63 14.644 -3.687 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.264 -5.823 4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.605 -5.953 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.674 -5.060 1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.147 -5.728 2.254 1.00 0.00 H new ATOM 1037 N LEU A 64 14.254 -2.539 5.416 1.00 0.00 N ATOM 1038 CA LEU A 64 13.861 -1.995 6.700 1.00 0.00 C ATOM 1039 C LEU A 64 15.109 -1.906 7.582 1.00 0.00 C ATOM 1040 O LEU A 64 15.722 -0.836 7.600 1.00 0.00 O ATOM 1041 CB LEU A 64 12.736 -2.774 7.372 1.00 0.00 C ATOM 1042 CG LEU A 64 11.350 -2.112 7.095 1.00 0.00 C ATOM 1043 CD1 LEU A 64 10.366 -3.206 6.651 1.00 0.00 C ATOM 1044 CD2 LEU A 64 10.847 -1.458 8.362 1.00 0.00 C ATOM 0 H LEU A 64 13.825 -2.047 4.632 1.00 0.00 H new ATOM 0 HA LEU A 64 13.443 -1.001 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.732 -3.801 7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.912 -2.819 8.447 1.00 0.00 H new ATOM 0 HG LEU A 64 11.441 -1.357 6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.391 -2.760 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.738 -3.683 5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.270 -3.952 7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.879 -0.994 8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.742 -2.211 9.143 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.557 -0.697 8.685 1.00 0.00 H new ATOM 1056 N GLY A 65 15.425 -2.991 8.256 1.00 0.00 N ATOM 1057 CA GLY A 65 16.618 -2.919 9.126 1.00 0.00 C ATOM 1058 C GLY A 65 17.851 -3.707 8.725 1.00 0.00 C ATOM 1059 O GLY A 65 18.654 -3.122 7.976 1.00 0.00 O ATOM 0 H GLY A 65 14.926 -3.881 8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 65 16.906 -1.871 9.209 1.00 0.00 H new ATOM 0 HA3 GLY A 65 16.323 -3.248 10.122 1.00 0.00 H new ATOM 1063 N VAL A 66 18.082 -4.943 9.132 1.00 0.00 N ATOM 1064 CA VAL A 66 19.303 -5.641 8.699 1.00 0.00 C ATOM 1065 C VAL A 66 20.505 -5.039 9.453 1.00 0.00 C ATOM 1066 O VAL A 66 20.656 -3.827 9.576 1.00 0.00 O ATOM 1067 CB VAL A 66 19.500 -5.609 7.201 1.00 0.00 C ATOM 1068 CG1 VAL A 66 20.291 -6.780 6.671 1.00 0.00 C ATOM 1069 CG2 VAL A 66 18.150 -5.585 6.480 1.00 0.00 C ATOM 0 H VAL A 66 17.467 -5.480 9.744 1.00 0.00 H new ATOM 0 HA VAL A 66 19.207 -6.698 8.947 1.00 0.00 H new ATOM 0 HB VAL A 66 20.068 -4.700 7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 66 20.393 -6.691 5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 66 21.280 -6.788 7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.772 -7.708 6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 66 18.313 -5.562 5.403 1.00 0.00 H new ATOM 0 HG22 VAL A 66 17.582 -6.477 6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 66 17.592 -4.698 6.781 1.00 0.00 H new ATOM 1079 N ASP A 67 21.392 -5.859 9.983 1.00 0.00 N ATOM 1080 CA ASP A 67 22.529 -5.301 10.696 1.00 0.00 C ATOM 1081 C ASP A 67 23.357 -4.448 9.800 1.00 0.00 C ATOM 1082 O ASP A 67 23.713 -4.881 8.692 1.00 0.00 O ATOM 1083 CB ASP A 67 23.254 -6.355 11.555 1.00 0.00 C ATOM 1084 CG ASP A 67 24.153 -7.262 10.802 1.00 0.00 C ATOM 1085 OD1 ASP A 67 25.221 -6.939 10.297 1.00 0.00 O ATOM 1086 OD2 ASP A 67 23.710 -8.485 10.708 1.00 0.00 O ATOM 0 H ASP A 67 21.354 -6.877 9.939 1.00 0.00 H new ATOM 0 HA ASP A 67 22.182 -4.599 11.455 1.00 0.00 H new ATOM 0 HB2 ASP A 67 23.837 -5.841 12.319 1.00 0.00 H new ATOM 0 HB3 ASP A 67 22.507 -6.956 12.074 1.00 0.00 H new ATOM 1091 N PHE A 68 23.698 -3.234 10.203 1.00 0.00 N ATOM 1092 CA PHE A 68 24.499 -2.328 9.401 1.00 0.00 C ATOM 1093 C PHE A 68 25.977 -2.360 9.758 1.00 0.00 C ATOM 1094 O PHE A 68 26.804 -2.945 9.070 1.00 0.00 O ATOM 1095 CB PHE A 68 24.001 -0.861 9.473 1.00 0.00 C ATOM 1096 CG PHE A 68 23.664 -0.184 8.174 1.00 0.00 C ATOM 1097 CD1 PHE A 68 23.992 -0.684 6.927 1.00 0.00 C ATOM 1098 CD2 PHE A 68 22.968 1.048 8.230 1.00 0.00 C ATOM 1099 CE1 PHE A 68 23.629 0.033 5.773 1.00 0.00 C ATOM 1100 CE2 PHE A 68 22.606 1.770 7.068 1.00 0.00 C ATOM 1101 CZ PHE A 68 22.954 1.229 5.846 1.00 0.00 C ATOM 0 H PHE A 68 23.423 -2.848 11.106 1.00 0.00 H new ATOM 0 HA PHE A 68 24.378 -2.695 8.382 1.00 0.00 H new ATOM 0 HB2 PHE A 68 23.114 -0.836 10.106 1.00 0.00 H new ATOM 0 HB3 PHE A 68 24.767 -0.269 9.974 1.00 0.00 H new ATOM 0 HD1 PHE A 68 24.524 -1.620 6.840 1.00 0.00 H new ATOM 0 HD2 PHE A 68 22.703 1.452 9.196 1.00 0.00 H new ATOM 0 HE1 PHE A 68 23.887 -0.366 4.803 1.00 0.00 H new ATOM 0 HE2 PHE A 68 22.077 2.709 7.134 1.00 0.00 H new ATOM 0 HZ PHE A 68 22.693 1.751 4.937 1.00 0.00 H new ATOM 1111 N ALA A 69 26.231 -1.682 10.880 1.00 0.00 N ATOM 1112 CA ALA A 69 27.568 -1.517 11.455 1.00 0.00 C ATOM 1113 C ALA A 69 28.233 -0.382 10.658 1.00 0.00 C ATOM 1114 O ALA A 69 29.282 -0.476 10.039 1.00 0.00 O ATOM 1115 CB ALA A 69 28.376 -2.777 11.395 1.00 0.00 C ATOM 0 H ALA A 69 25.500 -1.224 11.424 1.00 0.00 H new ATOM 0 HA ALA A 69 27.502 -1.276 12.516 1.00 0.00 H new ATOM 0 HB1 ALA A 69 29.358 -2.601 11.834 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.866 -3.563 11.951 1.00 0.00 H new ATOM 0 HB3 ALA A 69 28.493 -3.085 10.356 1.00 0.00 H new ATOM 1121 N TYR A 70 27.513 0.740 10.719 1.00 0.00 N ATOM 1122 CA TYR A 70 27.900 1.971 10.055 1.00 0.00 C ATOM 1123 C TYR A 70 27.643 3.048 11.097 1.00 0.00 C ATOM 1124 O TYR A 70 26.545 3.517 11.237 1.00 0.00 O ATOM 1125 CB TYR A 70 27.088 2.275 8.790 1.00 0.00 C ATOM 1126 CG TYR A 70 26.969 3.799 8.589 1.00 0.00 C ATOM 1127 CD1 TYR A 70 28.095 4.601 8.485 1.00 0.00 C ATOM 1128 CD2 TYR A 70 25.738 4.428 8.512 1.00 0.00 C ATOM 1129 CE1 TYR A 70 28.036 5.977 8.311 1.00 0.00 C ATOM 1130 CE2 TYR A 70 25.638 5.827 8.337 1.00 0.00 C ATOM 1131 CZ TYR A 70 26.789 6.615 8.235 1.00 0.00 C ATOM 1132 OH TYR A 70 26.669 7.979 8.067 1.00 0.00 O ATOM 0 H TYR A 70 26.638 0.813 11.238 1.00 0.00 H new ATOM 0 HA TYR A 70 28.934 1.909 9.714 1.00 0.00 H new ATOM 0 HB2 TYR A 70 27.569 1.823 7.923 1.00 0.00 H new ATOM 0 HB3 TYR A 70 26.095 1.833 8.871 1.00 0.00 H new ATOM 0 HD1 TYR A 70 29.066 4.132 8.542 1.00 0.00 H new ATOM 0 HD2 TYR A 70 24.836 3.838 8.587 1.00 0.00 H new ATOM 0 HE1 TYR A 70 28.946 6.554 8.234 1.00 0.00 H new ATOM 0 HE2 TYR A 70 24.665 6.291 8.282 1.00 0.00 H new ATOM 0 HH TYR A 70 25.720 8.223 8.038 1.00 0.00 H new ATOM 1142 N SER A 71 28.742 3.345 11.819 1.00 0.00 N ATOM 1143 CA SER A 71 28.661 4.318 12.871 1.00 0.00 C ATOM 1144 C SER A 71 27.912 5.568 12.431 1.00 0.00 C ATOM 1145 O SER A 71 28.137 6.029 11.324 1.00 0.00 O ATOM 1146 CB SER A 71 30.035 4.760 13.276 1.00 0.00 C ATOM 1147 OG SER A 71 30.403 6.004 12.758 1.00 0.00 O ATOM 0 H SER A 71 29.662 2.926 11.682 1.00 0.00 H new ATOM 0 HA SER A 71 28.134 3.838 13.695 1.00 0.00 H new ATOM 0 HB2 SER A 71 30.088 4.800 14.364 1.00 0.00 H new ATOM 0 HB3 SER A 71 30.758 4.013 12.949 1.00 0.00 H new ATOM 0 HG SER A 71 31.379 6.092 12.781 1.00 0.00 H new ATOM 1153 N LEU A 72 27.077 5.986 13.326 1.00 0.00 N ATOM 1154 CA LEU A 72 26.195 7.126 13.207 1.00 0.00 C ATOM 1155 C LEU A 72 26.993 8.361 12.863 1.00 0.00 C ATOM 1156 O LEU A 72 27.292 9.325 13.581 1.00 0.00 O ATOM 1157 CB LEU A 72 25.358 7.304 14.470 1.00 0.00 C ATOM 1158 CG LEU A 72 26.016 7.968 15.652 1.00 0.00 C ATOM 1159 CD1 LEU A 72 27.512 7.702 15.782 1.00 0.00 C ATOM 1160 CD2 LEU A 72 25.688 9.462 15.751 1.00 0.00 C ATOM 0 H LEU A 72 26.978 5.515 14.225 1.00 0.00 H new ATOM 0 HA LEU A 72 25.492 6.951 12.393 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.473 7.884 14.208 1.00 0.00 H new ATOM 0 HB3 LEU A 72 25.012 6.320 14.786 1.00 0.00 H new ATOM 0 HG LEU A 72 25.566 7.478 16.516 1.00 0.00 H new ATOM 0 HD11 LEU A 72 27.899 8.220 16.660 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.683 6.631 15.888 1.00 0.00 H new ATOM 0 HD13 LEU A 72 28.025 8.065 14.891 1.00 0.00 H new ATOM 0 HD21 LEU A 72 26.189 9.888 16.621 1.00 0.00 H new ATOM 0 HD22 LEU A 72 26.031 9.970 14.850 1.00 0.00 H new ATOM 0 HD23 LEU A 72 24.611 9.592 15.853 1.00 0.00 H new ATOM 1172 N ALA A 73 27.415 8.342 11.577 1.00 0.00 N ATOM 1173 CA ALA A 73 28.213 9.359 10.927 1.00 0.00 C ATOM 1174 C ALA A 73 29.603 9.540 11.474 1.00 0.00 C ATOM 1175 O ALA A 73 30.400 10.267 10.856 1.00 0.00 O ATOM 1176 CB ALA A 73 27.400 10.670 10.815 1.00 0.00 C ATOM 0 H ALA A 73 27.187 7.570 10.950 1.00 0.00 H new ATOM 0 HA ALA A 73 28.422 8.998 9.920 1.00 0.00 H new ATOM 0 HB1 ALA A 73 28.005 11.433 10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 73 26.499 10.490 10.229 1.00 0.00 H new ATOM 0 HB3 ALA A 73 27.122 11.012 11.812 1.00 0.00 H new ATOM 1182 N ASP A 74 29.957 8.929 12.592 1.00 0.00 N ATOM 1183 CA ASP A 74 31.277 9.027 13.225 1.00 0.00 C ATOM 1184 C ASP A 74 31.459 8.217 14.509 1.00 0.00 C ATOM 1185 O ASP A 74 32.477 7.519 14.592 1.00 0.00 O ATOM 1186 CB ASP A 74 31.806 10.393 13.432 1.00 0.00 C ATOM 1187 CG ASP A 74 30.656 11.354 13.780 1.00 0.00 C ATOM 1188 OD1 ASP A 74 29.478 10.931 14.066 1.00 0.00 O ATOM 1189 OD2 ASP A 74 30.875 12.621 13.788 1.00 0.00 O ATOM 0 H ASP A 74 29.315 8.327 13.109 1.00 0.00 H new ATOM 0 HA ASP A 74 31.879 8.562 12.445 1.00 0.00 H new ATOM 0 HB2 ASP A 74 32.543 10.389 14.235 1.00 0.00 H new ATOM 0 HB3 ASP A 74 32.317 10.735 12.532 1.00 0.00 H new ATOM 1194 N GLY A 75 30.535 8.296 15.454 1.00 0.00 N ATOM 1195 CA GLY A 75 30.535 7.596 16.741 1.00 0.00 C ATOM 1196 C GLY A 75 31.218 6.220 16.768 1.00 0.00 C ATOM 1197 O GLY A 75 32.431 6.175 17.010 1.00 0.00 O ATOM 0 H GLY A 75 29.711 8.886 15.341 1.00 0.00 H new ATOM 0 HA2 GLY A 75 31.023 8.234 17.478 1.00 0.00 H new ATOM 0 HA3 GLY A 75 29.501 7.471 17.062 1.00 0.00 H new ATOM 1201 N THR A 76 30.539 5.106 16.536 1.00 0.00 N ATOM 1202 CA THR A 76 31.275 3.876 16.572 1.00 0.00 C ATOM 1203 C THR A 76 30.680 2.716 15.817 1.00 0.00 C ATOM 1204 O THR A 76 31.463 1.784 15.553 1.00 0.00 O ATOM 1205 CB THR A 76 31.456 3.411 18.046 1.00 0.00 C ATOM 1206 OG1 THR A 76 32.450 2.431 17.996 1.00 0.00 O ATOM 1207 CG2 THR A 76 30.245 2.744 18.657 1.00 0.00 C ATOM 0 H THR A 76 29.542 5.037 16.334 1.00 0.00 H new ATOM 0 HA THR A 76 32.212 4.126 16.074 1.00 0.00 H new ATOM 0 HB THR A 76 31.671 4.292 18.650 1.00 0.00 H new ATOM 0 HG1 THR A 76 32.355 1.910 17.171 1.00 0.00 H new ATOM 0 HG21 THR A 76 30.468 2.456 19.684 1.00 0.00 H new ATOM 0 HG22 THR A 76 29.405 3.438 18.649 1.00 0.00 H new ATOM 0 HG23 THR A 76 29.988 1.857 18.079 1.00 0.00 H new ATOM 1215 N GLU A 77 29.384 2.714 15.477 1.00 0.00 N ATOM 1216 CA GLU A 77 28.913 1.514 14.784 1.00 0.00 C ATOM 1217 C GLU A 77 27.500 1.523 14.267 1.00 0.00 C ATOM 1218 O GLU A 77 27.278 1.416 13.077 1.00 0.00 O ATOM 1219 CB GLU A 77 28.880 0.334 15.797 1.00 0.00 C ATOM 1220 CG GLU A 77 29.768 -0.858 15.433 1.00 0.00 C ATOM 1221 CD GLU A 77 30.968 -1.032 16.321 1.00 0.00 C ATOM 1222 OE1 GLU A 77 31.111 -0.215 17.324 1.00 0.00 O ATOM 1223 OE2 GLU A 77 31.752 -1.916 16.086 1.00 0.00 O ATOM 0 H GLU A 77 28.702 3.453 15.649 1.00 0.00 H new ATOM 0 HA GLU A 77 29.601 1.441 13.942 1.00 0.00 H new ATOM 0 HB2 GLU A 77 29.182 0.707 16.776 1.00 0.00 H new ATOM 0 HB3 GLU A 77 27.852 -0.014 15.892 1.00 0.00 H new ATOM 0 HG2 GLU A 77 29.168 -1.767 15.471 1.00 0.00 H new ATOM 0 HG3 GLU A 77 30.107 -0.742 14.403 1.00 0.00 H new ATOM 1230 N LEU A 78 26.465 1.584 15.103 1.00 0.00 N ATOM 1231 CA LEU A 78 25.057 1.500 14.764 1.00 0.00 C ATOM 1232 C LEU A 78 24.912 0.193 13.914 1.00 0.00 C ATOM 1233 O LEU A 78 24.971 0.194 12.664 1.00 0.00 O ATOM 1234 CB LEU A 78 24.567 2.637 13.850 1.00 0.00 C ATOM 1235 CG LEU A 78 23.647 3.642 14.566 1.00 0.00 C ATOM 1236 CD1 LEU A 78 23.003 4.582 13.533 1.00 0.00 C ATOM 1237 CD2 LEU A 78 22.482 2.918 15.190 1.00 0.00 C ATOM 0 H LEU A 78 26.605 1.702 16.106 1.00 0.00 H new ATOM 0 HA LEU A 78 24.483 1.539 15.690 1.00 0.00 H new ATOM 0 HB2 LEU A 78 25.430 3.168 13.448 1.00 0.00 H new ATOM 0 HB3 LEU A 78 24.034 2.207 13.002 1.00 0.00 H new ATOM 0 HG LEU A 78 24.251 4.173 15.301 1.00 0.00 H new ATOM 0 HD11 LEU A 78 22.352 5.292 14.043 1.00 0.00 H new ATOM 0 HD12 LEU A 78 23.783 5.124 12.998 1.00 0.00 H new ATOM 0 HD13 LEU A 78 22.417 3.997 12.824 1.00 0.00 H new ATOM 0 HD21 LEU A 78 21.836 3.636 15.695 1.00 0.00 H new ATOM 0 HD22 LEU A 78 21.916 2.403 14.414 1.00 0.00 H new ATOM 0 HD23 LEU A 78 22.851 2.191 15.913 1.00 0.00 H new ATOM 1249 N THR A 79 24.736 -0.916 14.558 1.00 0.00 N ATOM 1250 CA THR A 79 24.625 -2.224 13.883 1.00 0.00 C ATOM 1251 C THR A 79 23.347 -2.945 14.265 1.00 0.00 C ATOM 1252 O THR A 79 23.076 -4.047 13.741 1.00 0.00 O ATOM 1253 CB THR A 79 25.751 -3.224 14.294 1.00 0.00 C ATOM 1254 OG1 THR A 79 26.206 -3.846 13.140 1.00 0.00 O ATOM 1255 CG2 THR A 79 25.312 -4.216 15.392 1.00 0.00 C ATOM 0 H THR A 79 24.661 -0.969 15.574 1.00 0.00 H new ATOM 0 HA THR A 79 24.675 -1.973 12.823 1.00 0.00 H new ATOM 0 HB THR A 79 26.572 -2.678 14.759 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.452 -4.268 12.677 1.00 0.00 H new ATOM 0 HG21 THR A 79 26.140 -4.883 15.632 1.00 0.00 H new ATOM 0 HG22 THR A 79 25.020 -3.664 16.285 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.465 -4.803 15.035 1.00 0.00 H new ATOM 1263 N GLY A 80 22.546 -2.419 15.154 1.00 0.00 N ATOM 1264 CA GLY A 80 21.371 -3.115 15.568 1.00 0.00 C ATOM 1265 C GLY A 80 20.209 -2.998 14.561 1.00 0.00 C ATOM 1266 O GLY A 80 19.255 -3.721 14.767 1.00 0.00 O ATOM 0 H GLY A 80 22.691 -1.513 15.600 1.00 0.00 H new ATOM 0 HA2 GLY A 80 21.613 -4.168 15.713 1.00 0.00 H new ATOM 0 HA3 GLY A 80 21.047 -2.726 16.533 1.00 0.00 H new ATOM 1270 N THR A 81 20.436 -2.106 13.651 1.00 0.00 N ATOM 1271 CA THR A 81 19.550 -1.771 12.539 1.00 0.00 C ATOM 1272 C THR A 81 18.799 -0.470 12.805 1.00 0.00 C ATOM 1273 O THR A 81 19.140 0.262 13.721 1.00 0.00 O ATOM 1274 CB THR A 81 18.471 -2.855 12.352 1.00 0.00 C ATOM 1275 OG1 THR A 81 17.399 -2.755 13.302 1.00 0.00 O ATOM 1276 CG2 THR A 81 18.981 -4.305 12.275 1.00 0.00 C ATOM 0 H THR A 81 21.290 -1.549 13.648 1.00 0.00 H new ATOM 0 HA THR A 81 20.185 -1.684 11.657 1.00 0.00 H new ATOM 0 HB THR A 81 18.085 -2.626 11.359 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.690 -3.121 14.163 1.00 0.00 H new ATOM 0 HG21 THR A 81 18.136 -4.981 12.143 1.00 0.00 H new ATOM 0 HG22 THR A 81 19.662 -4.407 11.430 1.00 0.00 H new ATOM 0 HG23 THR A 81 19.506 -4.556 13.197 1.00 0.00 H new ATOM 1284 N TRP A 82 17.835 -0.295 11.966 1.00 0.00 N ATOM 1285 CA TRP A 82 16.947 0.824 12.019 1.00 0.00 C ATOM 1286 C TRP A 82 15.685 0.253 11.314 1.00 0.00 C ATOM 1287 O TRP A 82 15.848 -0.165 10.152 1.00 0.00 O ATOM 1288 CB TRP A 82 17.263 2.017 11.093 1.00 0.00 C ATOM 1289 CG TRP A 82 18.591 2.638 11.097 1.00 0.00 C ATOM 1290 CD1 TRP A 82 19.818 2.137 11.305 1.00 0.00 C ATOM 1291 CD2 TRP A 82 18.798 4.033 10.848 1.00 0.00 C ATOM 1292 NE1 TRP A 82 20.747 3.140 11.199 1.00 0.00 N ATOM 1293 CE2 TRP A 82 20.171 4.341 10.914 1.00 0.00 C ATOM 1294 CE3 TRP A 82 17.951 5.122 10.563 1.00 0.00 C ATOM 1295 CZ2 TRP A 82 20.634 5.632 10.708 1.00 0.00 C ATOM 1296 CZ3 TRP A 82 18.405 6.391 10.369 1.00 0.00 C ATOM 1297 CH2 TRP A 82 19.757 6.654 10.437 1.00 0.00 C ATOM 0 H TRP A 82 17.635 -0.942 11.203 1.00 0.00 H new ATOM 0 HA TRP A 82 16.934 1.180 13.049 1.00 0.00 H new ATOM 0 HB2 TRP A 82 17.065 1.691 10.072 1.00 0.00 H new ATOM 0 HB3 TRP A 82 16.542 2.801 11.323 1.00 0.00 H new ATOM 0 HD1 TRP A 82 20.040 1.103 11.523 1.00 0.00 H new ATOM 0 HE1 TRP A 82 21.751 3.003 11.319 1.00 0.00 H new ATOM 0 HE3 TRP A 82 16.888 4.941 10.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 21.693 5.836 10.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 17.708 7.190 10.162 1.00 0.00 H new ATOM 0 HH2 TRP A 82 20.124 7.657 10.278 1.00 0.00 H new ATOM 1308 N THR A 83 14.527 0.241 11.916 1.00 0.00 N ATOM 1309 CA THR A 83 13.349 -0.251 11.176 1.00 0.00 C ATOM 1310 C THR A 83 12.378 0.926 11.280 1.00 0.00 C ATOM 1311 O THR A 83 12.792 2.046 11.434 1.00 0.00 O ATOM 1312 CB THR A 83 12.707 -1.553 11.621 1.00 0.00 C ATOM 1313 OG1 THR A 83 12.349 -1.509 12.962 1.00 0.00 O ATOM 1314 CG2 THR A 83 13.649 -2.764 11.417 1.00 0.00 C ATOM 0 H THR A 83 14.354 0.547 12.874 1.00 0.00 H new ATOM 0 HA THR A 83 13.652 -0.538 10.169 1.00 0.00 H new ATOM 0 HB THR A 83 11.819 -1.676 11.000 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.937 -2.360 13.219 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.149 -3.674 11.749 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.903 -2.854 10.361 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.560 -2.618 11.998 1.00 0.00 H new ATOM 1322 N MET A 84 11.097 0.717 11.211 1.00 0.00 N ATOM 1323 CA MET A 84 10.159 1.848 11.349 1.00 0.00 C ATOM 1324 C MET A 84 8.984 1.168 12.046 1.00 0.00 C ATOM 1325 O MET A 84 9.297 0.409 12.970 1.00 0.00 O ATOM 1326 CB MET A 84 9.813 2.296 9.912 1.00 0.00 C ATOM 1327 CG MET A 84 9.117 1.244 9.059 1.00 0.00 C ATOM 1328 SD MET A 84 7.761 1.836 7.991 1.00 0.00 S ATOM 1329 CE MET A 84 7.850 0.522 6.735 1.00 0.00 C ATOM 0 H MET A 84 10.662 -0.194 11.064 1.00 0.00 H new ATOM 0 HA MET A 84 10.502 2.729 11.891 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.175 3.178 9.966 1.00 0.00 H new ATOM 0 HB3 MET A 84 10.732 2.598 9.411 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.866 0.766 8.428 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.720 0.475 9.721 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.261 0.811 5.864 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.888 0.372 6.438 1.00 0.00 H new ATOM 0 HE3 MET A 84 7.454 -0.405 7.150 1.00 0.00 H new ATOM 1339 N GLU A 85 7.752 1.392 11.656 1.00 0.00 N ATOM 1340 CA GLU A 85 6.663 0.692 12.352 1.00 0.00 C ATOM 1341 C GLU A 85 5.392 0.857 11.616 1.00 0.00 C ATOM 1342 O GLU A 85 5.394 1.091 10.410 1.00 0.00 O ATOM 1343 CB GLU A 85 6.612 1.241 13.788 1.00 0.00 C ATOM 1344 CG GLU A 85 6.228 0.120 14.743 1.00 0.00 C ATOM 1345 CD GLU A 85 5.071 0.395 15.661 1.00 0.00 C ATOM 1346 OE1 GLU A 85 5.401 1.065 16.735 1.00 0.00 O ATOM 1347 OE2 GLU A 85 3.943 0.036 15.431 1.00 0.00 O ATOM 0 H GLU A 85 7.471 2.018 10.901 1.00 0.00 H new ATOM 0 HA GLU A 85 6.836 -0.383 12.395 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.581 1.655 14.066 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.888 2.053 13.853 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.994 -0.766 14.154 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.098 -0.123 15.353 1.00 0.00 H new ATOM 1354 N GLY A 86 4.286 0.737 12.329 1.00 0.00 N ATOM 1355 CA GLY A 86 2.972 0.865 11.781 1.00 0.00 C ATOM 1356 C GLY A 86 2.862 2.314 11.404 1.00 0.00 C ATOM 1357 O GLY A 86 2.077 2.593 10.503 1.00 0.00 O ATOM 0 H GLY A 86 4.291 0.543 13.330 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.839 0.218 10.914 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.210 0.585 12.508 1.00 0.00 H new ATOM 1361 N ASN A 87 3.595 3.213 12.039 1.00 0.00 N ATOM 1362 CA ASN A 87 3.464 4.576 11.655 1.00 0.00 C ATOM 1363 C ASN A 87 4.693 5.463 11.898 1.00 0.00 C ATOM 1364 O ASN A 87 4.601 6.672 11.935 1.00 0.00 O ATOM 1365 CB ASN A 87 2.128 5.269 11.839 1.00 0.00 C ATOM 1366 CG ASN A 87 2.024 5.556 13.328 1.00 0.00 C ATOM 1367 OD1 ASN A 87 2.248 4.641 14.124 1.00 0.00 O ATOM 1368 ND2 ASN A 87 1.697 6.781 13.668 1.00 0.00 N ATOM 0 H ASN A 87 4.257 3.020 12.791 1.00 0.00 H new ATOM 0 HA ASN A 87 3.441 4.426 10.576 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.079 6.189 11.257 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.307 4.636 11.503 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.612 7.032 14.653 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.527 7.482 12.947 1.00 0.00 H new ATOM 1375 N LYS A 88 5.857 4.887 12.065 1.00 0.00 N ATOM 1376 CA LYS A 88 7.033 5.655 12.287 1.00 0.00 C ATOM 1377 C LYS A 88 8.311 4.811 12.145 1.00 0.00 C ATOM 1378 O LYS A 88 8.297 3.712 12.632 1.00 0.00 O ATOM 1379 CB LYS A 88 7.264 6.129 13.710 1.00 0.00 C ATOM 1380 CG LYS A 88 6.951 5.167 14.812 1.00 0.00 C ATOM 1381 CD LYS A 88 7.475 5.765 16.106 1.00 0.00 C ATOM 1382 CE LYS A 88 6.402 6.255 17.053 1.00 0.00 C ATOM 1383 NZ LYS A 88 5.830 5.157 17.804 1.00 0.00 N ATOM 0 H LYS A 88 6.005 3.878 12.049 1.00 0.00 H new ATOM 0 HA LYS A 88 6.871 6.461 11.571 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.310 6.420 13.803 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.668 7.028 13.867 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.877 4.996 14.877 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.417 4.200 14.620 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.079 5.016 16.618 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.136 6.597 15.865 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.825 6.988 17.740 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.619 6.762 16.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.097 5.520 18.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.406 4.471 17.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.576 4.690 18.359 1.00 0.00 H new ATOM 1397 N LEU A 89 9.272 5.453 11.518 1.00 0.00 N ATOM 1398 CA LEU A 89 10.588 4.925 11.307 1.00 0.00 C ATOM 1399 C LEU A 89 11.070 4.695 12.755 1.00 0.00 C ATOM 1400 O LEU A 89 10.464 5.096 13.731 1.00 0.00 O ATOM 1401 CB LEU A 89 11.483 6.009 10.626 1.00 0.00 C ATOM 1402 CG LEU A 89 12.114 5.588 9.308 1.00 0.00 C ATOM 1403 CD1 LEU A 89 11.048 5.167 8.288 1.00 0.00 C ATOM 1404 CD2 LEU A 89 12.952 6.663 8.650 1.00 0.00 C ATOM 0 H LEU A 89 9.147 6.388 11.131 1.00 0.00 H new ATOM 0 HA LEU A 89 10.620 4.037 10.676 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.880 6.901 10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.277 6.290 11.318 1.00 0.00 H new ATOM 0 HG LEU A 89 12.763 4.756 9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.532 4.872 7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.478 4.326 8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.376 6.004 8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.365 6.282 7.716 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.330 7.533 8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 89 13.766 6.949 9.317 1.00 0.00 H new ATOM 1416 N VAL A 90 12.202 4.045 12.826 1.00 0.00 N ATOM 1417 CA VAL A 90 12.878 3.725 14.036 1.00 0.00 C ATOM 1418 C VAL A 90 14.330 3.422 13.605 1.00 0.00 C ATOM 1419 O VAL A 90 14.713 2.314 13.268 1.00 0.00 O ATOM 1420 CB VAL A 90 12.326 2.503 14.768 1.00 0.00 C ATOM 1421 CG1 VAL A 90 12.692 2.482 16.249 1.00 0.00 C ATOM 1422 CG2 VAL A 90 10.814 2.437 14.774 1.00 0.00 C ATOM 0 H VAL A 90 12.693 3.713 11.996 1.00 0.00 H new ATOM 0 HA VAL A 90 12.767 4.554 14.735 1.00 0.00 H new ATOM 0 HB VAL A 90 12.770 1.675 14.215 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.272 1.591 16.715 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.777 2.470 16.356 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.289 3.370 16.736 1.00 0.00 H new ATOM 0 HG21 VAL A 90 10.491 1.545 15.310 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.413 3.322 15.268 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.448 2.396 13.748 1.00 0.00 H new ATOM 1432 N GLY A 91 15.133 4.472 13.660 1.00 0.00 N ATOM 1433 CA GLY A 91 16.527 4.501 13.377 1.00 0.00 C ATOM 1434 C GLY A 91 17.194 3.348 14.140 1.00 0.00 C ATOM 1435 O GLY A 91 18.292 2.970 13.763 1.00 0.00 O ATOM 0 H GLY A 91 14.781 5.391 13.927 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.700 4.398 12.306 1.00 0.00 H new ATOM 0 HA3 GLY A 91 16.957 5.456 13.679 1.00 0.00 H new ATOM 1439 N LYS A 92 16.458 2.913 15.101 1.00 0.00 N ATOM 1440 CA LYS A 92 16.812 1.811 15.992 1.00 0.00 C ATOM 1441 C LYS A 92 18.287 2.005 16.307 1.00 0.00 C ATOM 1442 O LYS A 92 18.638 3.177 16.343 1.00 0.00 O ATOM 1443 CB LYS A 92 16.528 0.439 15.470 1.00 0.00 C ATOM 1444 CG LYS A 92 15.866 -0.545 16.441 1.00 0.00 C ATOM 1445 CD LYS A 92 15.563 0.123 17.781 1.00 0.00 C ATOM 1446 CE LYS A 92 15.073 -0.827 18.815 1.00 0.00 C ATOM 1447 NZ LYS A 92 13.658 -1.168 18.611 1.00 0.00 N ATOM 0 H LYS A 92 15.547 3.319 15.316 1.00 0.00 H new ATOM 0 HA LYS A 92 16.178 1.853 16.878 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.887 0.535 14.593 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.468 0.003 15.132 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.943 -0.926 16.004 1.00 0.00 H new ATOM 0 HG3 LYS A 92 16.521 -1.402 16.598 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.465 0.613 18.147 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.816 0.902 17.630 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.674 -1.736 18.789 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.203 -0.388 19.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.351 -1.832 19.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.082 -0.304 18.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.539 -1.610 17.677 1.00 0.00 H new ATOM 1461 N PHE A 93 19.023 0.948 16.542 1.00 0.00 N ATOM 1462 CA PHE A 93 20.389 1.026 16.948 1.00 0.00 C ATOM 1463 C PHE A 93 20.742 -0.239 17.759 1.00 0.00 C ATOM 1464 O PHE A 93 20.006 -1.215 17.688 1.00 0.00 O ATOM 1465 CB PHE A 93 20.446 2.067 18.109 1.00 0.00 C ATOM 1466 CG PHE A 93 19.879 1.445 19.367 1.00 0.00 C ATOM 1467 CD1 PHE A 93 18.765 0.633 19.385 1.00 0.00 C ATOM 1468 CD2 PHE A 93 20.557 1.573 20.578 1.00 0.00 C ATOM 1469 CE1 PHE A 93 18.310 -0.039 20.502 1.00 0.00 C ATOM 1470 CE2 PHE A 93 20.134 0.929 21.723 1.00 0.00 C ATOM 1471 CZ PHE A 93 19.007 0.095 21.732 1.00 0.00 C ATOM 0 H PHE A 93 18.675 -0.007 16.452 1.00 0.00 H new ATOM 0 HA PHE A 93 21.006 1.211 16.069 1.00 0.00 H new ATOM 0 HB2 PHE A 93 21.475 2.384 18.278 1.00 0.00 H new ATOM 0 HB3 PHE A 93 19.878 2.958 17.842 1.00 0.00 H new ATOM 0 HD1 PHE A 93 18.212 0.515 18.465 1.00 0.00 H new ATOM 0 HD2 PHE A 93 21.439 2.194 20.622 1.00 0.00 H new ATOM 0 HE1 PHE A 93 17.430 -0.662 20.441 1.00 0.00 H new ATOM 0 HE2 PHE A 93 20.688 1.072 22.639 1.00 0.00 H new ATOM 0 HZ PHE A 93 18.686 -0.418 22.627 1.00 0.00 H new ATOM 1481 N LYS A 94 21.769 0.093 18.487 1.00 0.00 N ATOM 1482 CA LYS A 94 22.522 -0.591 19.533 1.00 0.00 C ATOM 1483 C LYS A 94 23.923 -0.524 18.979 1.00 0.00 C ATOM 1484 O LYS A 94 24.399 -1.534 18.522 1.00 0.00 O ATOM 1485 CB LYS A 94 22.137 -1.989 19.812 1.00 0.00 C ATOM 1486 CG LYS A 94 20.959 -1.676 20.732 1.00 0.00 C ATOM 1487 CD LYS A 94 20.143 -2.823 21.203 1.00 0.00 C ATOM 1488 CE LYS A 94 19.640 -2.796 22.628 1.00 0.00 C ATOM 1489 NZ LYS A 94 19.450 -4.188 23.043 1.00 0.00 N ATOM 0 H LYS A 94 22.178 1.016 18.340 1.00 0.00 H new ATOM 0 HA LYS A 94 22.357 -0.121 20.503 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.849 -2.542 18.918 1.00 0.00 H new ATOM 0 HB3 LYS A 94 22.924 -2.562 20.302 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.344 -1.153 21.608 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.299 -0.983 20.211 1.00 0.00 H new ATOM 0 HD2 LYS A 94 19.278 -2.911 20.545 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.735 -3.729 21.074 1.00 0.00 H new ATOM 0 HE2 LYS A 94 20.355 -2.294 23.280 1.00 0.00 H new ATOM 0 HE3 LYS A 94 18.703 -2.242 22.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.103 -4.214 24.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 18.756 -4.645 22.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 20.356 -4.695 22.983 1.00 0.00 H new ATOM 1503 N ARG A 95 24.401 0.691 19.030 1.00 0.00 N ATOM 1504 CA ARG A 95 25.643 1.100 18.499 1.00 0.00 C ATOM 1505 C ARG A 95 26.773 0.109 18.720 1.00 0.00 C ATOM 1506 O ARG A 95 27.855 0.582 18.384 1.00 0.00 O ATOM 1507 CB ARG A 95 26.165 2.276 19.361 1.00 0.00 C ATOM 1508 CG ARG A 95 25.117 3.209 19.888 1.00 0.00 C ATOM 1509 CD ARG A 95 24.166 3.596 18.778 1.00 0.00 C ATOM 1510 NE ARG A 95 24.792 3.516 17.445 1.00 0.00 N ATOM 1511 CZ ARG A 95 25.919 4.189 17.179 1.00 0.00 C ATOM 1512 NH1 ARG A 95 26.583 4.967 18.057 1.00 0.00 N ATOM 1513 NH2 ARG A 95 26.514 4.143 15.970 1.00 0.00 N ATOM 0 H ARG A 95 23.891 1.456 19.473 1.00 0.00 H new ATOM 0 HA ARG A 95 25.446 1.279 17.442 1.00 0.00 H new ATOM 0 HB2 ARG A 95 26.718 1.866 20.206 1.00 0.00 H new ATOM 0 HB3 ARG A 95 26.873 2.853 18.766 1.00 0.00 H new ATOM 0 HG2 ARG A 95 24.568 2.731 20.699 1.00 0.00 H new ATOM 0 HG3 ARG A 95 25.587 4.101 20.303 1.00 0.00 H new ATOM 0 HD2 ARG A 95 23.294 2.942 18.806 1.00 0.00 H new ATOM 0 HD3 ARG A 95 23.809 4.612 18.948 1.00 0.00 H new ATOM 0 HE ARG A 95 24.363 2.943 16.719 1.00 0.00 H new ATOM 0 HH11 ARG A 95 26.232 5.077 19.008 1.00 0.00 H new ATOM 0 HH12 ARG A 95 27.437 5.445 17.770 1.00 0.00 H new ATOM 0 HH21 ARG A 95 26.106 3.582 15.222 1.00 0.00 H new ATOM 0 HH22 ARG A 95 27.372 4.669 15.803 1.00 0.00 H new ATOM 1527 N VAL A 96 26.635 -1.025 19.269 1.00 0.00 N ATOM 1528 CA VAL A 96 27.857 -1.808 19.438 1.00 0.00 C ATOM 1529 C VAL A 96 28.781 -1.149 20.453 1.00 0.00 C ATOM 1530 O VAL A 96 29.337 -1.916 21.252 1.00 0.00 O ATOM 1531 CB VAL A 96 28.452 -1.988 18.076 1.00 0.00 C ATOM 1532 CG1 VAL A 96 29.550 -3.081 18.138 1.00 0.00 C ATOM 1533 CG2 VAL A 96 27.336 -2.376 17.110 1.00 0.00 C ATOM 0 H VAL A 96 25.766 -1.442 19.602 1.00 0.00 H new ATOM 0 HA VAL A 96 27.661 -2.796 19.856 1.00 0.00 H new ATOM 0 HB VAL A 96 28.915 -1.065 17.727 1.00 0.00 H new ATOM 0 HG11 VAL A 96 29.986 -3.215 17.148 1.00 0.00 H new ATOM 0 HG12 VAL A 96 30.327 -2.776 18.839 1.00 0.00 H new ATOM 0 HG13 VAL A 96 29.109 -4.021 18.471 1.00 0.00 H new ATOM 0 HG21 VAL A 96 27.750 -2.512 16.111 1.00 0.00 H new ATOM 0 HG22 VAL A 96 26.875 -3.307 17.441 1.00 0.00 H new ATOM 0 HG23 VAL A 96 26.584 -1.587 17.087 1.00 0.00 H new ATOM 1543 N ASP A 97 28.985 0.149 20.511 1.00 0.00 N ATOM 1544 CA ASP A 97 29.877 0.715 21.588 1.00 0.00 C ATOM 1545 C ASP A 97 29.380 0.248 22.954 1.00 0.00 C ATOM 1546 O ASP A 97 30.108 0.141 23.957 1.00 0.00 O ATOM 1547 CB ASP A 97 29.997 2.230 21.609 1.00 0.00 C ATOM 1548 CG ASP A 97 30.065 2.842 23.014 1.00 0.00 C ATOM 1549 OD1 ASP A 97 31.215 2.722 23.595 1.00 0.00 O ATOM 1550 OD2 ASP A 97 29.120 3.396 23.550 1.00 0.00 O ATOM 0 H ASP A 97 28.581 0.834 19.872 1.00 0.00 H new ATOM 0 HA ASP A 97 30.874 0.339 21.356 1.00 0.00 H new ATOM 0 HB2 ASP A 97 30.891 2.519 21.057 1.00 0.00 H new ATOM 0 HB3 ASP A 97 29.144 2.657 21.081 1.00 0.00 H new ATOM 1555 N ASN A 98 28.082 -0.039 22.929 1.00 0.00 N ATOM 1556 CA ASN A 98 27.293 -0.506 24.028 1.00 0.00 C ATOM 1557 C ASN A 98 25.834 -0.805 23.788 1.00 0.00 C ATOM 1558 O ASN A 98 25.312 -1.839 24.187 1.00 0.00 O ATOM 1559 CB ASN A 98 27.425 0.577 25.162 1.00 0.00 C ATOM 1560 CG ASN A 98 26.537 0.441 26.375 1.00 0.00 C ATOM 1561 OD1 ASN A 98 25.281 0.382 26.322 1.00 0.00 O ATOM 1562 ND2 ASN A 98 27.155 0.383 27.546 1.00 0.00 N ATOM 0 H ASN A 98 27.531 0.060 22.076 1.00 0.00 H new ATOM 0 HA ASN A 98 27.693 -1.489 24.276 1.00 0.00 H new ATOM 0 HB2 ASN A 98 28.460 0.579 25.504 1.00 0.00 H new ATOM 0 HB3 ASN A 98 27.235 1.553 24.716 1.00 0.00 H new ATOM 0 HD21 ASN A 98 26.613 0.290 28.405 1.00 0.00 H new ATOM 0 HD22 ASN A 98 28.173 0.431 27.588 1.00 0.00 H new ATOM 1569 N GLY A 99 25.194 0.154 23.129 1.00 0.00 N ATOM 1570 CA GLY A 99 23.801 0.183 22.769 1.00 0.00 C ATOM 1571 C GLY A 99 23.081 1.445 23.317 1.00 0.00 C ATOM 1572 O GLY A 99 22.869 1.560 24.544 1.00 0.00 O ATOM 0 H GLY A 99 25.683 0.991 22.813 1.00 0.00 H new ATOM 0 HA2 GLY A 99 23.707 0.156 21.683 1.00 0.00 H new ATOM 0 HA3 GLY A 99 23.309 -0.710 23.154 1.00 0.00 H new ATOM 1576 N LYS A 100 22.752 2.358 22.406 1.00 0.00 N ATOM 1577 CA LYS A 100 22.143 3.646 22.661 1.00 0.00 C ATOM 1578 C LYS A 100 20.646 3.814 22.464 1.00 0.00 C ATOM 1579 O LYS A 100 19.866 3.808 23.380 1.00 0.00 O ATOM 1580 CB LYS A 100 22.907 4.651 21.803 1.00 0.00 C ATOM 1581 CG LYS A 100 23.699 5.658 22.635 1.00 0.00 C ATOM 1582 CD LYS A 100 24.883 4.847 23.169 1.00 0.00 C ATOM 1583 CE LYS A 100 26.139 5.609 23.442 1.00 0.00 C ATOM 1584 NZ LYS A 100 25.874 6.835 24.213 1.00 0.00 N ATOM 0 H LYS A 100 22.917 2.201 21.412 1.00 0.00 H new ATOM 0 HA LYS A 100 22.222 3.796 23.738 1.00 0.00 H new ATOM 0 HB2 LYS A 100 23.590 4.114 21.144 1.00 0.00 H new ATOM 0 HB3 LYS A 100 22.203 5.187 21.166 1.00 0.00 H new ATOM 0 HG2 LYS A 100 24.033 6.501 22.030 1.00 0.00 H new ATOM 0 HG3 LYS A 100 23.097 6.067 23.446 1.00 0.00 H new ATOM 0 HD2 LYS A 100 24.573 4.357 24.092 1.00 0.00 H new ATOM 0 HD3 LYS A 100 25.110 4.060 22.450 1.00 0.00 H new ATOM 0 HE2 LYS A 100 26.836 4.977 23.992 1.00 0.00 H new ATOM 0 HE3 LYS A 100 26.620 5.869 22.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 26.775 7.257 24.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 25.355 7.513 23.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 25.304 6.602 25.051 1.00 0.00 H new ATOM 1598 N GLU A 101 20.278 3.976 21.226 1.00 0.00 N ATOM 1599 CA GLU A 101 18.919 4.188 20.770 1.00 0.00 C ATOM 1600 C GLU A 101 18.746 5.512 19.992 1.00 0.00 C ATOM 1601 O GLU A 101 17.793 6.175 20.270 1.00 0.00 O ATOM 1602 CB GLU A 101 17.791 3.934 21.761 1.00 0.00 C ATOM 1603 CG GLU A 101 17.625 2.436 22.138 1.00 0.00 C ATOM 1604 CD GLU A 101 16.331 2.043 22.776 1.00 0.00 C ATOM 1605 OE1 GLU A 101 15.259 2.663 22.732 1.00 0.00 O ATOM 1606 OE2 GLU A 101 16.415 0.918 23.431 1.00 0.00 O ATOM 0 H GLU A 101 20.950 3.964 20.459 1.00 0.00 H new ATOM 0 HA GLU A 101 18.790 3.363 20.069 1.00 0.00 H new ATOM 0 HB2 GLU A 101 17.977 4.510 22.667 1.00 0.00 H new ATOM 0 HB3 GLU A 101 16.856 4.300 21.337 1.00 0.00 H new ATOM 0 HG2 GLU A 101 17.753 1.841 21.233 1.00 0.00 H new ATOM 0 HG3 GLU A 101 18.435 2.164 22.815 1.00 0.00 H new ATOM 1613 N LEU A 102 19.711 5.680 19.120 1.00 0.00 N ATOM 1614 CA LEU A 102 19.641 6.849 18.245 1.00 0.00 C ATOM 1615 C LEU A 102 18.144 6.769 17.862 1.00 0.00 C ATOM 1616 O LEU A 102 17.489 7.741 18.112 1.00 0.00 O ATOM 1617 CB LEU A 102 20.464 6.577 16.960 1.00 0.00 C ATOM 1618 CG LEU A 102 21.948 6.718 17.247 1.00 0.00 C ATOM 1619 CD1 LEU A 102 22.819 5.606 16.692 1.00 0.00 C ATOM 1620 CD2 LEU A 102 22.366 8.062 16.663 1.00 0.00 C ATOM 0 H LEU A 102 20.516 5.067 18.991 1.00 0.00 H new ATOM 0 HA LEU A 102 19.995 7.784 18.680 1.00 0.00 H new ATOM 0 HB2 LEU A 102 20.252 5.574 16.589 1.00 0.00 H new ATOM 0 HB3 LEU A 102 20.170 7.275 16.177 1.00 0.00 H new ATOM 0 HG LEU A 102 22.097 6.653 18.325 1.00 0.00 H new ATOM 0 HD11 LEU A 102 23.861 5.797 16.949 1.00 0.00 H new ATOM 0 HD12 LEU A 102 22.509 4.653 17.120 1.00 0.00 H new ATOM 0 HD13 LEU A 102 22.714 5.568 15.608 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.430 8.220 16.840 1.00 0.00 H new ATOM 0 HD22 LEU A 102 22.171 8.069 15.591 1.00 0.00 H new ATOM 0 HD23 LEU A 102 21.796 8.859 17.141 1.00 0.00 H new ATOM 1632 N ILE A 103 17.789 5.613 17.363 1.00 0.00 N ATOM 1633 CA ILE A 103 16.420 5.325 16.996 1.00 0.00 C ATOM 1634 C ILE A 103 15.985 6.189 15.833 1.00 0.00 C ATOM 1635 O ILE A 103 14.797 6.118 15.501 1.00 0.00 O ATOM 1636 CB ILE A 103 15.562 5.591 18.257 1.00 0.00 C ATOM 1637 CG1 ILE A 103 15.373 4.284 18.997 1.00 0.00 C ATOM 1638 CG2 ILE A 103 14.296 6.345 18.025 1.00 0.00 C ATOM 1639 CD1 ILE A 103 14.482 3.230 18.367 1.00 0.00 C ATOM 0 H ILE A 103 18.438 4.843 17.198 1.00 0.00 H new ATOM 0 HA ILE A 103 16.305 4.292 16.668 1.00 0.00 H new ATOM 0 HB ILE A 103 16.113 6.287 18.889 1.00 0.00 H new ATOM 0 HG12 ILE A 103 16.357 3.841 19.149 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.971 4.514 19.984 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.772 6.477 18.972 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.527 7.321 17.599 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.662 5.789 17.334 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.444 2.352 19.012 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.476 3.631 18.241 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.884 2.948 17.394 1.00 0.00 H new ATOM 1651 N ALA A 104 16.939 6.896 15.276 1.00 0.00 N ATOM 1652 CA ALA A 104 16.820 7.785 14.137 1.00 0.00 C ATOM 1653 C ALA A 104 15.603 7.444 13.331 1.00 0.00 C ATOM 1654 O ALA A 104 15.697 6.838 12.273 1.00 0.00 O ATOM 1655 CB ALA A 104 18.022 7.607 13.188 1.00 0.00 C ATOM 0 H ALA A 104 17.894 6.865 15.633 1.00 0.00 H new ATOM 0 HA ALA A 104 16.767 8.801 14.528 1.00 0.00 H new ATOM 0 HB1 ALA A 104 17.918 8.281 12.338 1.00 0.00 H new ATOM 0 HB2 ALA A 104 18.944 7.836 13.722 1.00 0.00 H new ATOM 0 HB3 ALA A 104 18.055 6.577 12.832 1.00 0.00 H new ATOM 1661 N VAL A 105 14.472 7.835 13.869 1.00 0.00 N ATOM 1662 CA VAL A 105 13.187 7.549 13.277 1.00 0.00 C ATOM 1663 C VAL A 105 12.980 8.402 12.016 1.00 0.00 C ATOM 1664 O VAL A 105 13.923 8.504 11.248 1.00 0.00 O ATOM 1665 CB VAL A 105 12.085 7.889 14.311 1.00 0.00 C ATOM 1666 CG1 VAL A 105 12.235 7.188 15.657 1.00 0.00 C ATOM 1667 CG2 VAL A 105 12.166 9.392 14.507 1.00 0.00 C ATOM 0 H VAL A 105 14.418 8.366 14.738 1.00 0.00 H new ATOM 0 HA VAL A 105 13.139 6.496 12.999 1.00 0.00 H new ATOM 0 HB VAL A 105 11.125 7.543 13.928 1.00 0.00 H new ATOM 0 HG11 VAL A 105 11.419 7.487 16.316 1.00 0.00 H new ATOM 0 HG12 VAL A 105 12.206 6.108 15.510 1.00 0.00 H new ATOM 0 HG13 VAL A 105 13.187 7.467 16.109 1.00 0.00 H new ATOM 0 HG21 VAL A 105 11.412 9.706 15.229 1.00 0.00 H new ATOM 0 HG22 VAL A 105 13.156 9.658 14.878 1.00 0.00 H new ATOM 0 HG23 VAL A 105 11.988 9.893 13.555 1.00 0.00 H new ATOM 1677 N ARG A 106 11.807 8.974 11.899 1.00 0.00 N ATOM 1678 CA ARG A 106 11.370 9.875 10.845 1.00 0.00 C ATOM 1679 C ARG A 106 9.849 9.898 10.985 1.00 0.00 C ATOM 1680 O ARG A 106 9.316 10.865 10.496 1.00 0.00 O ATOM 1681 CB ARG A 106 11.741 9.407 9.493 1.00 0.00 C ATOM 1682 CG ARG A 106 12.525 10.532 8.836 1.00 0.00 C ATOM 1683 CD ARG A 106 13.954 10.243 8.472 1.00 0.00 C ATOM 1684 NE ARG A 106 14.787 10.394 9.668 1.00 0.00 N ATOM 1685 CZ ARG A 106 15.950 9.768 9.763 1.00 0.00 C ATOM 1686 NH1 ARG A 106 16.409 8.989 8.801 1.00 0.00 N ATOM 1687 NH2 ARG A 106 16.672 9.933 10.859 1.00 0.00 N ATOM 0 H ARG A 106 11.072 8.813 12.588 1.00 0.00 H new ATOM 0 HA ARG A 106 11.841 10.852 10.949 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.342 8.499 9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 106 10.852 9.165 8.911 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.997 10.829 7.929 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.513 11.391 9.507 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.045 9.232 8.074 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.289 10.925 7.690 1.00 0.00 H new ATOM 0 HE ARG A 106 14.468 10.987 10.434 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.863 8.854 7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.310 8.522 8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 106 16.330 10.533 11.610 1.00 0.00 H new ATOM 0 HH22 ARG A 106 17.571 9.460 10.953 1.00 0.00 H new ATOM 1701 N GLU A 107 9.349 8.864 11.604 1.00 0.00 N ATOM 1702 CA GLU A 107 7.923 8.807 11.909 1.00 0.00 C ATOM 1703 C GLU A 107 7.047 9.321 10.783 1.00 0.00 C ATOM 1704 O GLU A 107 6.361 8.555 10.133 1.00 0.00 O ATOM 1705 CB GLU A 107 7.829 9.894 13.034 1.00 0.00 C ATOM 1706 CG GLU A 107 7.715 9.245 14.431 1.00 0.00 C ATOM 1707 CD GLU A 107 6.346 9.160 15.133 1.00 0.00 C ATOM 1708 OE1 GLU A 107 5.301 9.256 14.356 1.00 0.00 O ATOM 1709 OE2 GLU A 107 6.283 9.008 16.333 1.00 0.00 O ATOM 0 H GLU A 107 9.889 8.054 11.909 1.00 0.00 H new ATOM 0 HA GLU A 107 7.601 7.790 12.131 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.710 10.535 12.999 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.964 10.532 12.855 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.100 8.229 14.348 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.387 9.788 15.096 1.00 0.00 H new ATOM 1716 N ILE A 108 7.152 10.641 10.654 1.00 0.00 N ATOM 1717 CA ILE A 108 6.481 11.467 9.665 1.00 0.00 C ATOM 1718 C ILE A 108 4.990 11.579 9.887 1.00 0.00 C ATOM 1719 O ILE A 108 4.200 10.634 9.768 1.00 0.00 O ATOM 1720 CB ILE A 108 6.801 10.840 8.306 1.00 0.00 C ATOM 1721 CG1 ILE A 108 7.015 12.021 7.370 1.00 0.00 C ATOM 1722 CG2 ILE A 108 5.652 10.047 7.712 1.00 0.00 C ATOM 1723 CD1 ILE A 108 7.982 11.625 6.251 1.00 0.00 C ATOM 0 H ILE A 108 7.744 11.191 11.276 1.00 0.00 H new ATOM 0 HA ILE A 108 6.839 12.494 9.734 1.00 0.00 H new ATOM 0 HB ILE A 108 7.646 10.162 8.427 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.062 12.338 6.945 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.414 12.870 7.925 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.954 9.634 6.750 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.383 9.235 8.387 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.792 10.702 7.571 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.133 12.473 5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.938 11.330 6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.565 10.790 5.688 1.00 0.00 H new ATOM 1735 N SER A 109 4.580 12.799 10.233 1.00 0.00 N ATOM 1736 CA SER A 109 3.164 13.029 10.379 1.00 0.00 C ATOM 1737 C SER A 109 2.908 14.484 10.401 1.00 0.00 C ATOM 1738 O SER A 109 3.456 15.171 11.232 1.00 0.00 O ATOM 1739 CB SER A 109 2.714 12.324 11.653 1.00 0.00 C ATOM 1740 OG SER A 109 1.408 12.645 12.029 1.00 0.00 O ATOM 0 H SER A 109 5.184 13.602 10.408 1.00 0.00 H new ATOM 0 HA SER A 109 2.592 12.625 9.544 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.789 11.246 11.510 1.00 0.00 H new ATOM 0 HB3 SER A 109 3.393 12.586 12.464 1.00 0.00 H new ATOM 0 HG SER A 109 1.176 12.163 12.850 1.00 0.00 H new ATOM 1746 N GLY A 110 2.043 14.869 9.461 1.00 0.00 N ATOM 1747 CA GLY A 110 1.574 16.193 9.244 1.00 0.00 C ATOM 1748 C GLY A 110 2.687 17.203 9.234 1.00 0.00 C ATOM 1749 O GLY A 110 3.022 17.659 10.339 1.00 0.00 O ATOM 0 H GLY A 110 1.640 14.204 8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 110 1.041 16.235 8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.858 16.454 10.023 1.00 0.00 H new ATOM 1753 N ASN A 111 3.249 17.578 8.086 1.00 0.00 N ATOM 1754 CA ASN A 111 4.378 18.500 8.079 1.00 0.00 C ATOM 1755 C ASN A 111 5.435 17.828 8.949 1.00 0.00 C ATOM 1756 O ASN A 111 5.389 18.020 10.168 1.00 0.00 O ATOM 1757 CB ASN A 111 4.108 19.935 8.545 1.00 0.00 C ATOM 1758 CG ASN A 111 2.661 20.421 8.483 1.00 0.00 C ATOM 1759 OD1 ASN A 111 1.753 19.880 9.130 1.00 0.00 O ATOM 1760 ND2 ASN A 111 2.390 21.446 7.708 1.00 0.00 N ATOM 0 H ASN A 111 2.946 17.263 7.164 1.00 0.00 H new ATOM 0 HA ASN A 111 4.681 18.661 7.044 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.453 20.028 9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.718 20.608 7.942 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.434 21.795 7.640 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.136 21.893 7.174 1.00 0.00 H new ATOM 1767 N GLU A 112 6.379 17.058 8.384 1.00 0.00 N ATOM 1768 CA GLU A 112 7.238 16.393 9.301 1.00 0.00 C ATOM 1769 C GLU A 112 8.400 15.627 8.715 1.00 0.00 C ATOM 1770 O GLU A 112 8.678 15.607 7.541 1.00 0.00 O ATOM 1771 CB GLU A 112 6.312 15.181 9.723 1.00 0.00 C ATOM 1772 CG GLU A 112 5.829 14.528 8.420 1.00 0.00 C ATOM 1773 CD GLU A 112 4.693 15.078 7.613 1.00 0.00 C ATOM 1774 OE1 GLU A 112 4.748 16.039 6.874 1.00 0.00 O ATOM 1775 OE2 GLU A 112 3.588 14.380 7.677 1.00 0.00 O ATOM 0 H GLU A 112 6.540 16.904 7.389 1.00 0.00 H new ATOM 0 HA GLU A 112 7.623 17.132 10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.863 14.466 10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 112 5.468 15.527 10.320 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.691 14.486 7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.566 13.499 8.666 1.00 0.00 H new ATOM 1782 N LEU A 113 8.987 14.868 9.651 1.00 0.00 N ATOM 1783 CA LEU A 113 10.049 13.917 9.515 1.00 0.00 C ATOM 1784 C LEU A 113 10.360 13.584 10.999 1.00 0.00 C ATOM 1785 O LEU A 113 10.627 12.492 11.423 1.00 0.00 O ATOM 1786 CB LEU A 113 11.268 14.333 8.688 1.00 0.00 C ATOM 1787 CG LEU A 113 11.206 14.087 7.192 1.00 0.00 C ATOM 1788 CD1 LEU A 113 12.608 14.410 6.667 1.00 0.00 C ATOM 1789 CD2 LEU A 113 11.030 12.627 6.828 1.00 0.00 C ATOM 0 H LEU A 113 8.679 14.929 10.622 1.00 0.00 H new ATOM 0 HA LEU A 113 9.747 13.062 8.910 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.438 15.398 8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 113 12.139 13.808 9.081 1.00 0.00 H new ATOM 0 HG LEU A 113 10.376 14.671 6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.638 14.254 5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.850 15.449 6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.336 13.757 7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.994 12.524 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.868 12.051 7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.101 12.254 7.259 1.00 0.00 H new ATOM 1801 N ILE A 114 10.294 14.581 11.858 1.00 0.00 N ATOM 1802 CA ILE A 114 10.442 14.435 13.247 1.00 0.00 C ATOM 1803 C ILE A 114 11.617 13.641 13.732 1.00 0.00 C ATOM 1804 O ILE A 114 11.654 13.531 14.980 1.00 0.00 O ATOM 1805 CB ILE A 114 9.273 13.592 13.785 1.00 0.00 C ATOM 1806 CG1 ILE A 114 8.139 13.175 12.884 1.00 0.00 C ATOM 1807 CG2 ILE A 114 8.891 14.231 15.121 1.00 0.00 C ATOM 1808 CD1 ILE A 114 6.861 14.062 12.905 1.00 0.00 C ATOM 0 H ILE A 114 10.128 15.545 11.570 1.00 0.00 H new ATOM 0 HA ILE A 114 10.528 15.469 13.582 1.00 0.00 H new ATOM 0 HB ILE A 114 9.633 12.569 13.895 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.513 13.143 11.861 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.851 12.158 13.150 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.061 13.680 15.564 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.746 14.202 15.796 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.593 15.267 14.957 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.123 13.654 12.214 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.445 14.077 13.912 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.118 15.077 12.603 1.00 0.00 H new ATOM 1820 N GLN A 115 12.466 13.163 12.849 1.00 0.00 N ATOM 1821 CA GLN A 115 13.667 12.435 13.073 1.00 0.00 C ATOM 1822 C GLN A 115 13.961 12.091 14.492 1.00 0.00 C ATOM 1823 O GLN A 115 15.152 12.016 14.838 1.00 0.00 O ATOM 1824 CB GLN A 115 14.735 13.459 12.600 1.00 0.00 C ATOM 1825 CG GLN A 115 14.626 13.773 11.117 1.00 0.00 C ATOM 1826 CD GLN A 115 15.682 13.031 10.338 1.00 0.00 C ATOM 1827 OE1 GLN A 115 15.365 12.822 9.061 1.00 0.00 O flip ATOM 1828 NE2 GLN A 115 16.728 12.674 10.879 1.00 0.00 N flip ATOM 0 H GLN A 115 12.300 13.297 11.852 1.00 0.00 H new ATOM 0 HA GLN A 115 13.625 11.469 12.569 1.00 0.00 H new ATOM 0 HB2 GLN A 115 14.628 14.381 13.172 1.00 0.00 H new ATOM 0 HB3 GLN A 115 15.729 13.066 12.812 1.00 0.00 H new ATOM 0 HG2 GLN A 115 13.636 13.496 10.753 1.00 0.00 H new ATOM 0 HG3 GLN A 115 14.736 14.846 10.958 1.00 0.00 H new ATOM 0 HE21 GLN A 115 16.887 12.877 11.866 1.00 0.00 H new ATOM 0 HE22 GLN A 115 17.436 12.175 10.341 1.00 0.00 H new ATOM 1837 N THR A 116 12.999 11.830 15.342 1.00 0.00 N ATOM 1838 CA THR A 116 13.123 11.466 16.745 1.00 0.00 C ATOM 1839 C THR A 116 14.235 10.527 17.042 1.00 0.00 C ATOM 1840 O THR A 116 13.922 9.344 17.202 1.00 0.00 O ATOM 1841 CB THR A 116 11.832 10.729 17.192 1.00 0.00 C ATOM 1842 OG1 THR A 116 10.666 11.428 16.854 1.00 0.00 O ATOM 1843 CG2 THR A 116 11.906 10.389 18.682 1.00 0.00 C ATOM 0 H THR A 116 12.022 11.868 15.052 1.00 0.00 H new ATOM 0 HA THR A 116 13.307 12.405 17.267 1.00 0.00 H new ATOM 0 HB THR A 116 11.773 9.792 16.638 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.730 12.349 17.182 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.995 9.872 18.983 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.766 9.745 18.866 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.010 11.307 19.260 1.00 0.00 H new ATOM 1851 N TYR A 117 15.480 10.992 17.162 1.00 0.00 N ATOM 1852 CA TYR A 117 16.470 10.042 17.555 1.00 0.00 C ATOM 1853 C TYR A 117 16.718 10.131 19.076 1.00 0.00 C ATOM 1854 O TYR A 117 17.463 11.033 19.446 1.00 0.00 O ATOM 1855 CB TYR A 117 17.844 10.254 16.923 1.00 0.00 C ATOM 1856 CG TYR A 117 18.190 11.169 15.751 1.00 0.00 C ATOM 1857 CD1 TYR A 117 18.278 12.545 15.793 1.00 0.00 C ATOM 1858 CD2 TYR A 117 18.484 10.627 14.485 1.00 0.00 C ATOM 1859 CE1 TYR A 117 18.610 13.374 14.709 1.00 0.00 C ATOM 1860 CE2 TYR A 117 18.822 11.418 13.376 1.00 0.00 C ATOM 1861 CZ TYR A 117 18.889 12.796 13.466 1.00 0.00 C ATOM 1862 OH TYR A 117 19.224 13.546 12.350 1.00 0.00 O ATOM 0 H TYR A 117 15.793 11.950 17.003 1.00 0.00 H new ATOM 0 HA TYR A 117 16.063 9.086 17.226 1.00 0.00 H new ATOM 0 HB2 TYR A 117 18.490 10.575 17.740 1.00 0.00 H new ATOM 0 HB3 TYR A 117 18.179 9.261 16.622 1.00 0.00 H new ATOM 0 HD1 TYR A 117 18.075 13.025 16.739 1.00 0.00 H new ATOM 0 HD2 TYR A 117 18.448 9.555 14.362 1.00 0.00 H new ATOM 0 HE1 TYR A 117 18.649 14.446 14.834 1.00 0.00 H new ATOM 0 HE2 TYR A 117 19.034 10.940 12.431 1.00 0.00 H new ATOM 0 HH TYR A 117 20.038 14.061 12.534 1.00 0.00 H new ATOM 1872 N THR A 118 16.120 9.210 19.796 1.00 0.00 N ATOM 1873 CA THR A 118 16.105 9.131 21.249 1.00 0.00 C ATOM 1874 C THR A 118 17.090 8.157 21.774 1.00 0.00 C ATOM 1875 O THR A 118 16.734 7.109 22.325 1.00 0.00 O ATOM 1876 CB THR A 118 14.743 8.768 21.885 1.00 0.00 C ATOM 1877 OG1 THR A 118 13.742 9.258 20.975 1.00 0.00 O ATOM 1878 CG2 THR A 118 14.686 9.480 23.194 1.00 0.00 C ATOM 0 H THR A 118 15.598 8.448 19.363 1.00 0.00 H new ATOM 0 HA THR A 118 16.356 10.153 21.533 1.00 0.00 H new ATOM 0 HB THR A 118 14.594 7.701 22.053 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.851 9.053 21.328 1.00 0.00 H new ATOM 0 HG21 THR A 118 13.740 9.258 23.688 1.00 0.00 H new ATOM 0 HG22 THR A 118 15.511 9.149 23.824 1.00 0.00 H new ATOM 0 HG23 THR A 118 14.765 10.554 23.028 1.00 0.00 H new ATOM 1886 N TYR A 119 18.401 8.428 21.673 1.00 0.00 N ATOM 1887 CA TYR A 119 19.467 7.593 22.122 1.00 0.00 C ATOM 1888 C TYR A 119 19.526 7.618 23.645 1.00 0.00 C ATOM 1889 O TYR A 119 20.271 8.328 24.271 1.00 0.00 O ATOM 1890 CB TYR A 119 20.846 7.983 21.521 1.00 0.00 C ATOM 1891 CG TYR A 119 21.365 9.276 22.038 1.00 0.00 C ATOM 1892 CD1 TYR A 119 20.811 10.456 21.597 1.00 0.00 C ATOM 1893 CD2 TYR A 119 22.415 9.333 22.985 1.00 0.00 C ATOM 1894 CE1 TYR A 119 21.310 11.638 22.111 1.00 0.00 C ATOM 1895 CE2 TYR A 119 22.916 10.503 23.497 1.00 0.00 C ATOM 1896 CZ TYR A 119 22.339 11.671 23.041 1.00 0.00 C ATOM 1897 OH TYR A 119 22.779 12.873 23.506 1.00 0.00 O ATOM 0 H TYR A 119 18.738 9.291 21.248 1.00 0.00 H new ATOM 0 HA TYR A 119 19.255 6.584 21.770 1.00 0.00 H new ATOM 0 HB2 TYR A 119 21.567 7.195 21.741 1.00 0.00 H new ATOM 0 HB3 TYR A 119 20.759 8.041 20.436 1.00 0.00 H new ATOM 0 HD1 TYR A 119 20.011 10.458 20.872 1.00 0.00 H new ATOM 0 HD2 TYR A 119 22.846 8.403 23.324 1.00 0.00 H new ATOM 0 HE1 TYR A 119 20.883 12.572 21.776 1.00 0.00 H new ATOM 0 HE2 TYR A 119 23.719 10.510 24.219 1.00 0.00 H new ATOM 0 HH TYR A 119 23.587 13.137 23.017 1.00 0.00 H new ATOM 1907 N GLU A 120 18.670 6.745 24.176 1.00 0.00 N ATOM 1908 CA GLU A 120 18.709 6.585 25.633 1.00 0.00 C ATOM 1909 C GLU A 120 18.478 7.797 26.480 1.00 0.00 C ATOM 1910 O GLU A 120 18.747 7.805 27.665 1.00 0.00 O ATOM 1911 CB GLU A 120 20.141 6.098 25.887 1.00 0.00 C ATOM 1912 CG GLU A 120 20.054 4.547 26.078 1.00 0.00 C ATOM 1913 CD GLU A 120 20.444 4.044 27.426 1.00 0.00 C ATOM 1914 OE1 GLU A 120 19.797 4.052 28.452 1.00 0.00 O ATOM 1915 OE2 GLU A 120 21.649 3.565 27.402 1.00 0.00 O ATOM 0 H GLU A 120 17.991 6.177 23.670 1.00 0.00 H new ATOM 0 HA GLU A 120 17.887 5.928 25.919 1.00 0.00 H new ATOM 0 HB2 GLU A 120 20.791 6.350 25.049 1.00 0.00 H new ATOM 0 HB3 GLU A 120 20.562 6.575 26.772 1.00 0.00 H new ATOM 0 HG2 GLU A 120 19.032 4.230 25.873 1.00 0.00 H new ATOM 0 HG3 GLU A 120 20.691 4.070 25.333 1.00 0.00 H new ATOM 1922 N GLY A 121 17.968 8.796 25.801 1.00 0.00 N ATOM 1923 CA GLY A 121 17.728 9.974 26.593 1.00 0.00 C ATOM 1924 C GLY A 121 17.512 11.248 25.869 1.00 0.00 C ATOM 1925 O GLY A 121 17.042 12.195 26.479 1.00 0.00 O ATOM 0 H GLY A 121 17.732 8.826 24.809 1.00 0.00 H new ATOM 0 HA2 GLY A 121 16.854 9.788 27.217 1.00 0.00 H new ATOM 0 HA3 GLY A 121 18.576 10.107 27.264 1.00 0.00 H new ATOM 1929 N VAL A 122 17.895 11.270 24.561 1.00 0.00 N ATOM 1930 CA VAL A 122 17.777 12.509 23.869 1.00 0.00 C ATOM 1931 C VAL A 122 17.450 12.344 22.396 1.00 0.00 C ATOM 1932 O VAL A 122 18.328 12.009 21.634 1.00 0.00 O ATOM 1933 CB VAL A 122 19.124 13.266 24.065 1.00 0.00 C ATOM 1934 CG1 VAL A 122 19.370 14.326 23.020 1.00 0.00 C ATOM 1935 CG2 VAL A 122 19.105 13.927 25.433 1.00 0.00 C ATOM 0 H VAL A 122 18.260 10.482 24.026 1.00 0.00 H new ATOM 0 HA VAL A 122 16.939 13.073 24.279 1.00 0.00 H new ATOM 0 HB VAL A 122 19.926 12.534 23.973 1.00 0.00 H new ATOM 0 HG11 VAL A 122 20.325 14.815 23.215 1.00 0.00 H new ATOM 0 HG12 VAL A 122 19.393 13.865 22.033 1.00 0.00 H new ATOM 0 HG13 VAL A 122 18.570 15.065 23.056 1.00 0.00 H new ATOM 0 HG21 VAL A 122 20.041 14.463 25.591 1.00 0.00 H new ATOM 0 HG22 VAL A 122 18.272 14.627 25.487 1.00 0.00 H new ATOM 0 HG23 VAL A 122 18.989 13.165 26.204 1.00 0.00 H new ATOM 1945 N GLU A 123 16.207 12.641 22.095 1.00 0.00 N ATOM 1946 CA GLU A 123 15.615 12.688 20.803 1.00 0.00 C ATOM 1947 C GLU A 123 16.136 13.942 20.129 1.00 0.00 C ATOM 1948 O GLU A 123 16.130 15.008 20.740 1.00 0.00 O ATOM 1949 CB GLU A 123 14.101 13.088 20.955 1.00 0.00 C ATOM 1950 CG GLU A 123 13.363 12.948 19.589 1.00 0.00 C ATOM 1951 CD GLU A 123 11.914 13.307 19.609 1.00 0.00 C ATOM 1952 OE1 GLU A 123 11.301 13.698 20.606 1.00 0.00 O ATOM 1953 OE2 GLU A 123 11.265 13.188 18.501 1.00 0.00 O ATOM 0 H GLU A 123 15.534 12.875 22.825 1.00 0.00 H new ATOM 0 HA GLU A 123 15.798 11.740 20.296 1.00 0.00 H new ATOM 0 HB2 GLU A 123 13.623 12.452 21.701 1.00 0.00 H new ATOM 0 HB3 GLU A 123 14.024 14.114 21.314 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.867 13.578 18.856 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.461 11.918 19.245 1.00 0.00 H new ATOM 1960 N ALA A 124 16.556 13.746 18.873 1.00 0.00 N ATOM 1961 CA ALA A 124 17.044 14.901 18.107 1.00 0.00 C ATOM 1962 C ALA A 124 16.285 14.936 16.788 1.00 0.00 C ATOM 1963 O ALA A 124 16.225 14.064 15.973 1.00 0.00 O ATOM 1964 CB ALA A 124 18.528 14.973 17.900 1.00 0.00 C ATOM 0 H ALA A 124 16.570 12.850 18.385 1.00 0.00 H new ATOM 0 HA ALA A 124 16.847 15.789 18.707 1.00 0.00 H new ATOM 0 HB1 ALA A 124 18.772 15.865 17.323 1.00 0.00 H new ATOM 0 HB2 ALA A 124 19.029 15.018 18.867 1.00 0.00 H new ATOM 0 HB3 ALA A 124 18.863 14.088 17.359 1.00 0.00 H new ATOM 1970 N LYS A 125 15.619 16.063 16.580 1.00 0.00 N ATOM 1971 CA LYS A 125 14.816 16.203 15.370 1.00 0.00 C ATOM 1972 C LYS A 125 14.671 17.667 15.179 1.00 0.00 C ATOM 1973 O LYS A 125 15.484 18.446 15.736 1.00 0.00 O ATOM 1974 CB LYS A 125 13.425 15.512 15.533 1.00 0.00 C ATOM 1975 CG LYS A 125 13.365 14.746 16.860 1.00 0.00 C ATOM 1976 CD LYS A 125 13.157 15.771 18.010 1.00 0.00 C ATOM 1977 CE LYS A 125 12.145 16.892 17.720 1.00 0.00 C ATOM 1978 NZ LYS A 125 10.957 16.401 17.004 1.00 0.00 N ATOM 0 H LYS A 125 15.615 16.868 17.207 1.00 0.00 H new ATOM 0 HA LYS A 125 15.284 15.724 14.510 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.633 16.260 15.501 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.251 14.828 14.702 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.549 14.023 16.844 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.286 14.184 17.015 1.00 0.00 H new ATOM 0 HD2 LYS A 125 12.831 15.232 18.900 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.119 16.226 18.247 1.00 0.00 H new ATOM 0 HE2 LYS A 125 11.836 17.351 18.659 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.628 17.670 17.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 10.948 16.790 16.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 10.984 15.362 16.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 10.099 16.703 17.507 1.00 0.00 H new ATOM 1992 N ARG A 126 13.687 18.135 14.453 1.00 0.00 N ATOM 1993 CA ARG A 126 13.351 19.531 14.194 1.00 0.00 C ATOM 1994 C ARG A 126 12.590 19.473 12.885 1.00 0.00 C ATOM 1995 O ARG A 126 11.664 20.235 12.797 1.00 0.00 O ATOM 1996 CB ARG A 126 14.394 20.569 14.116 1.00 0.00 C ATOM 1997 CG ARG A 126 14.840 21.055 15.459 1.00 0.00 C ATOM 1998 CD ARG A 126 14.332 22.468 15.641 1.00 0.00 C ATOM 1999 NE ARG A 126 12.921 22.540 15.402 1.00 0.00 N ATOM 2000 CZ ARG A 126 12.280 23.692 15.236 1.00 0.00 C ATOM 2001 NH1 ARG A 126 12.984 24.837 15.300 1.00 0.00 N ATOM 2002 NH2 ARG A 126 10.985 23.719 15.012 1.00 0.00 N ATOM 0 H ARG A 126 13.039 17.502 13.983 1.00 0.00 H new ATOM 0 HA ARG A 126 12.827 19.881 15.083 1.00 0.00 H new ATOM 0 HB2 ARG A 126 15.254 20.172 13.576 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.016 21.412 13.538 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.453 20.407 16.246 1.00 0.00 H new ATOM 0 HG3 ARG A 126 15.927 21.029 15.531 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.551 22.810 16.653 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.855 23.137 14.958 1.00 0.00 H new ATOM 0 HE ARG A 126 12.387 21.672 15.358 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.989 24.809 15.473 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.513 25.733 15.176 1.00 0.00 H new ATOM 0 HH21 ARG A 126 10.458 22.847 14.964 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.508 24.612 14.887 1.00 0.00 H new ATOM 2016 N ILE A 127 13.031 18.588 11.998 1.00 0.00 N ATOM 2017 CA ILE A 127 12.441 18.263 10.744 1.00 0.00 C ATOM 2018 C ILE A 127 13.245 18.548 9.541 1.00 0.00 C ATOM 2019 O ILE A 127 14.181 19.351 9.501 1.00 0.00 O ATOM 2020 CB ILE A 127 11.027 18.879 10.518 1.00 0.00 C ATOM 2021 CG1 ILE A 127 10.037 18.016 11.326 1.00 0.00 C ATOM 2022 CG2 ILE A 127 10.529 19.011 9.099 1.00 0.00 C ATOM 2023 CD1 ILE A 127 10.430 17.636 12.743 1.00 0.00 C ATOM 0 H ILE A 127 13.879 18.047 12.169 1.00 0.00 H new ATOM 0 HA ILE A 127 12.371 17.180 10.850 1.00 0.00 H new ATOM 0 HB ILE A 127 11.105 19.917 10.842 1.00 0.00 H new ATOM 0 HG12 ILE A 127 9.087 18.549 11.372 1.00 0.00 H new ATOM 0 HG13 ILE A 127 9.860 17.096 10.768 1.00 0.00 H new ATOM 0 HG21 ILE A 127 9.534 19.455 9.103 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.208 19.648 8.533 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.485 18.025 8.636 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.641 17.031 13.189 1.00 0.00 H new ATOM 0 HD12 ILE A 127 11.358 17.065 12.722 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.573 18.540 13.336 1.00 0.00 H new ATOM 2035 N PHE A 128 12.759 17.833 8.497 1.00 0.00 N ATOM 2036 CA PHE A 128 13.121 17.822 7.159 1.00 0.00 C ATOM 2037 C PHE A 128 13.392 19.202 6.534 1.00 0.00 C ATOM 2038 O PHE A 128 12.746 20.146 6.955 1.00 0.00 O ATOM 2039 CB PHE A 128 11.980 17.324 6.253 1.00 0.00 C ATOM 2040 CG PHE A 128 10.895 18.376 5.941 1.00 0.00 C ATOM 2041 CD1 PHE A 128 11.057 19.479 5.149 1.00 0.00 C ATOM 2042 CD2 PHE A 128 9.599 18.283 6.475 1.00 0.00 C ATOM 2043 CE1 PHE A 128 10.049 20.403 4.886 1.00 0.00 C ATOM 2044 CE2 PHE A 128 8.571 19.161 6.251 1.00 0.00 C ATOM 2045 CZ PHE A 128 8.789 20.257 5.429 1.00 0.00 C ATOM 0 H PHE A 128 11.997 17.174 8.658 1.00 0.00 H new ATOM 0 HA PHE A 128 14.012 17.195 7.191 1.00 0.00 H new ATOM 0 HB2 PHE A 128 12.408 16.974 5.313 1.00 0.00 H new ATOM 0 HB3 PHE A 128 11.507 16.464 6.728 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.026 19.643 4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.394 17.442 7.121 1.00 0.00 H new ATOM 0 HE1 PHE A 128 10.257 21.248 4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 128 7.605 19.002 6.708 1.00 0.00 H new ATOM 0 HZ PHE A 128 8.003 20.968 5.222 1.00 0.00 H new ATOM 2055 N LYS A 129 14.238 19.045 5.561 1.00 0.00 N ATOM 2056 CA LYS A 129 14.660 20.126 4.725 1.00 0.00 C ATOM 2057 C LYS A 129 14.032 19.923 3.358 1.00 0.00 C ATOM 2058 O LYS A 129 14.164 20.834 2.581 1.00 0.00 O ATOM 2059 CB LYS A 129 16.056 20.635 4.783 1.00 0.00 C ATOM 2060 CG LYS A 129 16.035 22.164 4.592 1.00 0.00 C ATOM 2061 CD LYS A 129 16.266 22.715 3.220 1.00 0.00 C ATOM 2062 CE LYS A 129 15.167 23.641 2.655 1.00 0.00 C ATOM 2063 NZ LYS A 129 15.425 24.222 1.308 1.00 0.00 N ATOM 0 H LYS A 129 14.661 18.148 5.323 1.00 0.00 H new ATOM 0 HA LYS A 129 14.277 21.037 5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 129 16.511 20.380 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 129 16.661 20.166 4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 129 15.067 22.528 4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 129 16.790 22.591 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 129 17.206 23.267 3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 129 16.393 21.878 2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 129 14.234 23.079 2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.014 24.460 3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 14.624 24.824 1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.294 24.793 1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.538 23.455 0.615 1.00 0.00 H new ATOM 2077 N LYS A 130 13.343 18.825 3.289 1.00 0.00 N ATOM 2078 CA LYS A 130 12.684 18.350 2.116 1.00 0.00 C ATOM 2079 C LYS A 130 13.274 18.906 0.840 1.00 0.00 C ATOM 2080 O LYS A 130 13.773 20.025 0.656 1.00 0.00 O ATOM 2081 CB LYS A 130 11.168 18.545 2.125 1.00 0.00 C ATOM 2082 CG LYS A 130 10.476 18.642 0.737 1.00 0.00 C ATOM 2083 CD LYS A 130 10.072 20.041 0.299 1.00 0.00 C ATOM 2084 CE LYS A 130 8.700 20.062 -0.385 1.00 0.00 C ATOM 2085 NZ LYS A 130 7.640 20.563 0.491 1.00 0.00 N ATOM 0 H LYS A 130 13.221 18.207 4.091 1.00 0.00 H new ATOM 0 HA LYS A 130 12.865 17.275 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 130 10.720 17.716 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 130 10.944 19.454 2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 130 11.148 18.226 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 130 9.585 18.014 0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 130 10.053 20.700 1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 130 10.823 20.436 -0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 130 8.753 20.685 -1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 130 8.447 19.054 -0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 6.735 20.556 -0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 7.568 19.955 1.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 7.864 21.535 0.786 1.00 0.00 H new ATOM 2099 N GLU A 131 13.111 17.992 -0.145 1.00 0.00 N ATOM 2100 CA GLU A 131 13.624 18.286 -1.521 1.00 0.00 C ATOM 2101 C GLU A 131 12.848 17.764 -2.685 1.00 0.00 C ATOM 2102 O GLU A 131 13.316 17.509 -3.807 1.00 0.00 O ATOM 2103 CB GLU A 131 15.152 18.161 -1.364 1.00 0.00 C ATOM 2104 CG GLU A 131 16.196 18.782 -2.281 1.00 0.00 C ATOM 2105 CD GLU A 131 17.082 19.784 -1.511 1.00 0.00 C ATOM 2106 OE1 GLU A 131 16.593 20.622 -0.656 1.00 0.00 O ATOM 2107 OE2 GLU A 131 18.353 19.739 -1.771 1.00 0.00 O ATOM 2108 OXT GLU A 131 11.900 18.788 -2.015 1.00 0.00 O ATOM 0 H GLU A 131 12.654 17.087 -0.033 1.00 0.00 H new ATOM 0 HA GLU A 131 13.418 19.285 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 131 15.377 18.534 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 131 15.362 17.091 -1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 131 16.818 17.998 -2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 131 15.702 19.290 -3.109 1.00 0.00 H new